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)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC)n1 ZINC001164697357 719845372 /nfs/dbraw/zinc/84/53/72/719845372.db2.gz CTUGWHXOURPAQX-FZKQIMNGSA-N 1 2 394.428 1.231 20 5 GDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164720230 720215015 /nfs/dbraw/zinc/21/50/15/720215015.db2.gz XHFUICBMIJGXIS-QGZVFWFLSA-N 1 2 397.863 1.308 20 5 GDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164720230 720215021 /nfs/dbraw/zinc/21/50/21/720215021.db2.gz XHFUICBMIJGXIS-QGZVFWFLSA-N 1 2 397.863 1.308 20 5 GDBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000160824946 530555208 /nfs/dbraw/zinc/55/52/08/530555208.db2.gz IMCQKFPSLURPKB-UHFFFAOYSA-N 1 2 377.850 1.325 20 5 GDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000022812601 530573307 /nfs/dbraw/zinc/57/33/07/530573307.db2.gz HPDOKAFITKVFID-UHFFFAOYSA-N 1 2 382.467 1.626 20 5 GDBDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000055219254 530706451 /nfs/dbraw/zinc/70/64/51/530706451.db2.gz AVFJGAPZNGPPLB-TXEJJXNPSA-N 1 2 375.422 1.512 20 5 GDBDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000055219254 530706453 /nfs/dbraw/zinc/70/64/53/530706453.db2.gz AVFJGAPZNGPPLB-TXEJJXNPSA-N 1 2 375.422 1.512 20 5 GDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181062754 530777401 /nfs/dbraw/zinc/77/74/01/530777401.db2.gz UOAQBISTHXLRCN-CYBMUJFWSA-N 1 2 382.218 1.712 20 5 GDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181062754 530777402 /nfs/dbraw/zinc/77/74/02/530777402.db2.gz UOAQBISTHXLRCN-CYBMUJFWSA-N 1 2 382.218 1.712 20 5 GDBDLO COCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000123553171 530984701 /nfs/dbraw/zinc/98/47/01/530984701.db2.gz OPUKYULQMIYREL-UHFFFAOYSA-N 1 2 377.850 1.509 20 5 GDBDLO Cc1sc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000124647892 530997989 /nfs/dbraw/zinc/99/79/89/530997989.db2.gz OUOBKYWZJCXVDK-LLVKDONJSA-N 1 2 376.504 1.127 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248656144 531080356 /nfs/dbraw/zinc/08/03/56/531080356.db2.gz RDKWDYGGRBFEDW-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248656144 531080361 /nfs/dbraw/zinc/08/03/61/531080361.db2.gz RDKWDYGGRBFEDW-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000249152689 531084725 /nfs/dbraw/zinc/08/47/25/531084725.db2.gz HPRYUNOHUPEABY-MNOVXSKESA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000249152689 531084727 /nfs/dbraw/zinc/08/47/27/531084727.db2.gz HPRYUNOHUPEABY-MNOVXSKESA-N 1 2 377.850 1.324 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261737317 531097752 /nfs/dbraw/zinc/09/77/52/531097752.db2.gz OTCODOCYXDYFHE-CQSZACIVSA-N 1 2 382.829 1.978 20 5 GDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCS(=O)(=O)N3CCSCC3)c2c1 ZINC000413139562 531396348 /nfs/dbraw/zinc/39/63/48/531396348.db2.gz QSWLSFQZFYZGCY-UHFFFAOYSA-N 1 2 382.467 1.934 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c(Br)c1 ZINC000271605049 532030478 /nfs/dbraw/zinc/03/04/78/532030478.db2.gz MFULJRHNYCWWFT-UHFFFAOYSA-N 1 2 389.231 1.922 20 5 GDBDLO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289263156 532320135 /nfs/dbraw/zinc/32/01/35/532320135.db2.gz AKLUSLNTXDXFPG-VIFPVBQESA-N 1 2 381.813 1.386 20 5 GDBDLO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289263156 532320137 /nfs/dbraw/zinc/32/01/37/532320137.db2.gz AKLUSLNTXDXFPG-VIFPVBQESA-N 1 2 381.813 1.386 20 5 GDBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289428436 532323931 /nfs/dbraw/zinc/32/39/31/532323931.db2.gz XGTYSBMEWGJKCR-SNVBAGLBSA-N 1 2 390.181 1.442 20 5 GDBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289428436 532323933 /nfs/dbraw/zinc/32/39/33/532323933.db2.gz XGTYSBMEWGJKCR-SNVBAGLBSA-N 1 2 390.181 1.442 20 5 GDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738271943 598991881 /nfs/dbraw/zinc/99/18/81/598991881.db2.gz XAGBDTNOFCUVCU-UHFFFAOYSA-N 1 2 393.407 1.733 20 5 GDBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@](C)(O)C(F)(F)F ZINC000420971148 645976534 /nfs/dbraw/zinc/97/65/34/645976534.db2.gz HNNJDGMNVAZWFO-LBPRGKRZSA-N 1 2 385.364 1.118 20 5 GDBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@](C)(O)C(F)(F)F ZINC000420971148 645976537 /nfs/dbraw/zinc/97/65/37/645976537.db2.gz HNNJDGMNVAZWFO-LBPRGKRZSA-N 1 2 385.364 1.118 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000920008765 660263355 /nfs/dbraw/zinc/26/33/55/660263355.db2.gz GWFROHWOHNNJOC-ZWNOBZJWSA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000920008765 660263356 /nfs/dbraw/zinc/26/33/56/660263356.db2.gz GWFROHWOHNNJOC-ZWNOBZJWSA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000920011168 660263592 /nfs/dbraw/zinc/26/35/92/660263592.db2.gz TXHNLDNINRWSHB-GWCFXTLKSA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000920011168 660263594 /nfs/dbraw/zinc/26/35/94/660263594.db2.gz TXHNLDNINRWSHB-GWCFXTLKSA-N 1 2 376.866 1.161 20 5 GDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000593658328 652233170 /nfs/dbraw/zinc/23/31/70/652233170.db2.gz STBPNAFZDWVJIB-UHFFFAOYSA-N 1 2 391.877 1.980 20 5 GDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000593658328 652233172 /nfs/dbraw/zinc/23/31/72/652233172.db2.gz STBPNAFZDWVJIB-UHFFFAOYSA-N 1 2 391.877 1.980 20 5 GDBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253297 652566384 /nfs/dbraw/zinc/56/63/84/652566384.db2.gz KKPQYRATZAUZLG-UHFFFAOYSA-N 1 2 393.245 1.907 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000601473127 652586152 /nfs/dbraw/zinc/58/61/52/652586152.db2.gz AQQGYNIYKODOGH-UHFFFAOYSA-N 1 2 389.499 1.840 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)s1 ZINC000604536673 652741052 /nfs/dbraw/zinc/74/10/52/652741052.db2.gz HALBBKMHAVJBFT-GFCCVEGCSA-N 1 2 375.472 1.532 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)s1 ZINC000604536673 652741058 /nfs/dbraw/zinc/74/10/58/652741058.db2.gz HALBBKMHAVJBFT-GFCCVEGCSA-N 1 2 375.472 1.532 20 5 GDBDLO CNS(=O)(=O)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769388636 654458078 /nfs/dbraw/zinc/45/80/78/654458078.db2.gz DTWFOPLKFRQRTD-UHFFFAOYSA-N 1 2 392.275 1.871 20 5 GDBDLO C[N@H+](CC(F)F)C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000771153476 654531225 /nfs/dbraw/zinc/53/12/25/654531225.db2.gz HESKQKJQHNWWHZ-UHFFFAOYSA-N 1 2 378.401 1.408 20 5 GDBDLO C[N@@H+](CC(F)F)C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000771153476 654531228 /nfs/dbraw/zinc/53/12/28/654531228.db2.gz HESKQKJQHNWWHZ-UHFFFAOYSA-N 1 2 378.401 1.408 20 5 GDBDLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746471743 654762258 /nfs/dbraw/zinc/76/22/58/654762258.db2.gz BULKGQCWRAIETQ-VWLOTQADSA-N 1 2 388.877 1.183 20 5 GDBDLO Cc1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000786801713 654949935 /nfs/dbraw/zinc/94/99/35/654949935.db2.gz USMCJPICLZJPNH-GFCCVEGCSA-N 1 2 388.262 1.795 20 5 GDBDLO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809846930 655142380 /nfs/dbraw/zinc/14/23/80/655142380.db2.gz MTMGDTHQAUPASG-UHFFFAOYSA-N 1 2 396.872 1.549 20 5 GDBDLO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809846930 655142386 /nfs/dbraw/zinc/14/23/86/655142386.db2.gz MTMGDTHQAUPASG-UHFFFAOYSA-N 1 2 396.872 1.549 20 5 GDBDLO CN(CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000809846930 655142388 /nfs/dbraw/zinc/14/23/88/655142388.db2.gz MTMGDTHQAUPASG-UHFFFAOYSA-N 1 2 396.872 1.549 20 5 GDBDLO CNC(=O)[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000817370993 655350633 /nfs/dbraw/zinc/35/06/33/655350633.db2.gz QJFLLNDBKLZDRY-SECBINFHSA-N 1 2 397.229 1.339 20 5 GDBDLO CNC(=O)[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000817370993 655350636 /nfs/dbraw/zinc/35/06/36/655350636.db2.gz QJFLLNDBKLZDRY-SECBINFHSA-N 1 2 397.229 1.339 20 5 GDBDLO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000857648567 655738807 /nfs/dbraw/zinc/73/88/07/655738807.db2.gz XJQZFCGDQIYPKO-GFCCVEGCSA-N 1 2 384.230 1.904 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000858812965 655753787 /nfs/dbraw/zinc/75/37/87/655753787.db2.gz WIEPVFPURKUWGY-SECBINFHSA-N 1 2 383.348 1.367 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858812965 655753789 /nfs/dbraw/zinc/75/37/89/655753789.db2.gz WIEPVFPURKUWGY-SECBINFHSA-N 1 2 383.348 1.367 20 5 GDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864880460 655907662 /nfs/dbraw/zinc/90/76/62/655907662.db2.gz XSNYZRHRTDYUPN-LLVKDONJSA-N 1 2 386.246 1.737 20 5 GDBDLO CN1CC[NH+](CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000866618790 655951812 /nfs/dbraw/zinc/95/18/12/655951812.db2.gz KYXMBEVAXFTZQB-UHFFFAOYSA-N 1 2 377.850 1.594 20 5 GDBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000866861560 655971423 /nfs/dbraw/zinc/97/14/23/655971423.db2.gz RIXFCVKYBPEWLM-LBPRGKRZSA-N 1 2 383.246 1.016 20 5 GDBDLO O=[N+]([O-])c1cccc(Br)c1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000900641181 659129497 /nfs/dbraw/zinc/12/94/97/659129497.db2.gz NCEHSETVVZGXTF-UHFFFAOYSA-N 1 2 396.245 1.872 20 5 GDBDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000903208741 659302430 /nfs/dbraw/zinc/30/24/30/659302430.db2.gz WZXURNVVTZQNMA-PHIMTYICSA-N 1 2 390.259 1.824 20 5 GDBDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000903208741 659302436 /nfs/dbraw/zinc/30/24/36/659302436.db2.gz WZXURNVVTZQNMA-PHIMTYICSA-N 1 2 390.259 1.824 20 5 GDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C)c1[N+](=O)[O-] ZINC001164701557 719845746 /nfs/dbraw/zinc/84/57/46/719845746.db2.gz MJSGFDUPWAWQQD-KDOFPFPSSA-N 1 2 378.429 1.531 20 5 GDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165011276 721703706 /nfs/dbraw/zinc/70/37/06/721703706.db2.gz QNUCKHBJNSDORW-UHFFFAOYSA-N 1 2 390.448 1.544 20 5 GDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165011276 721703710 /nfs/dbraw/zinc/70/37/10/721703710.db2.gz QNUCKHBJNSDORW-UHFFFAOYSA-N 1 2 390.448 1.544 20 5 GDBDLO O=[N+]([O-])c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164911534 721768858 /nfs/dbraw/zinc/76/88/58/721768858.db2.gz HCXXEFPGRAYLBQ-LJQANCHMSA-N 1 2 385.424 1.493 20 5 GDBDLO O=[N+]([O-])c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164911534 721768861 /nfs/dbraw/zinc/76/88/61/721768861.db2.gz HCXXEFPGRAYLBQ-LJQANCHMSA-N 1 2 385.424 1.493 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000174885805 530656037 /nfs/dbraw/zinc/65/60/37/530656037.db2.gz ZPLIDGNODSHSND-GFCCVEGCSA-N 1 2 389.861 1.591 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1[N+](=O)[O-] ZINC000182445597 530799802 /nfs/dbraw/zinc/79/98/02/530799802.db2.gz GLURVFSJFMZARG-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000111263835 530872774 /nfs/dbraw/zinc/87/27/74/530872774.db2.gz XBFJYJCXCILFCV-JTQLQIEISA-N 1 2 399.245 1.754 20 5 GDBDLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000111263835 530872778 /nfs/dbraw/zinc/87/27/78/530872778.db2.gz XBFJYJCXCILFCV-JTQLQIEISA-N 1 2 399.245 1.754 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122714813 530975358 /nfs/dbraw/zinc/97/53/58/530975358.db2.gz QNTLGBPJTCIKCG-VXGBXAGGSA-N 1 2 391.877 1.714 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122714813 530975360 /nfs/dbraw/zinc/97/53/60/530975360.db2.gz QNTLGBPJTCIKCG-VXGBXAGGSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126446610 531018514 /nfs/dbraw/zinc/01/85/14/531018514.db2.gz SAGVUPZDOSVNOT-CLTRCRFRSA-N 1 2 392.275 1.995 20 5 GDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126446610 531018515 /nfs/dbraw/zinc/01/85/15/531018515.db2.gz SAGVUPZDOSVNOT-CLTRCRFRSA-N 1 2 392.275 1.995 20 5 GDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000265041295 531224272 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CC[NH+](CC)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000599214766 532013365 /nfs/dbraw/zinc/01/33/65/532013365.db2.gz BTLYTTYWJDECMY-GFCCVEGCSA-N 1 2 387.487 1.751 20 5 GDBDLO NS(=O)(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000599647074 532034427 /nfs/dbraw/zinc/03/44/27/532034427.db2.gz OBYJZGNCWZCWEM-UHFFFAOYSA-N 1 2 382.364 1.371 20 5 GDBDLO C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1Br)C[NH+]1CCOCC1 ZINC000301521501 532035062 /nfs/dbraw/zinc/03/50/62/532035062.db2.gz HAESOCCQBMIIIB-CYBMUJFWSA-N 1 2 375.223 1.247 20 5 GDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285940477 532121707 /nfs/dbraw/zinc/12/17/07/532121707.db2.gz JLRIKPQQHSDKDE-JTQLQIEISA-N 1 2 395.840 1.465 20 5 GDBDLO Cc1c(NC(=O)C(=O)NCCn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000430357638 532248245 /nfs/dbraw/zinc/24/82/45/532248245.db2.gz WLPUZPSMHHMHAG-UHFFFAOYSA-N 1 2 396.201 1.617 20 5 GDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567862002 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/nfs/dbraw/zinc/53/52/07/530535207.db2.gz UEEJMCAZMSRDIG-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000158726641 530535212 /nfs/dbraw/zinc/53/52/12/530535212.db2.gz UEEJMCAZMSRDIG-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000160410805 530551509 /nfs/dbraw/zinc/55/15/09/530551509.db2.gz RLDSGJCHWNFKIY-LLVKDONJSA-N 1 2 377.850 1.495 20 5 GDBDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000190372003 530929094 /nfs/dbraw/zinc/92/90/94/530929094.db2.gz YIMUJLFSKHUSGM-CYBMUJFWSA-N 1 2 377.488 1.529 20 5 GDBDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000190372003 530929096 /nfs/dbraw/zinc/92/90/96/530929096.db2.gz YIMUJLFSKHUSGM-CYBMUJFWSA-N 1 2 377.488 1.529 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000245777026 531060828 /nfs/dbraw/zinc/06/08/28/531060828.db2.gz AZLPFFOSSQEPMG-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000245777026 531060831 /nfs/dbraw/zinc/06/08/31/531060831.db2.gz AZLPFFOSSQEPMG-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ncc(Cl)s2)c1 ZINC000472054485 531217023 /nfs/dbraw/zinc/21/70/23/531217023.db2.gz UUTXGRRWYDJSFP-UHFFFAOYSA-N 1 2 376.847 1.773 20 5 GDBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)S1 ZINC000266015689 531305332 /nfs/dbraw/zinc/30/53/32/531305332.db2.gz OJBWQUACJQPFCS-NSHDSACASA-N 1 2 384.483 1.612 20 5 GDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292307787 531348568 /nfs/dbraw/zinc/34/85/68/531348568.db2.gz VEBYIMRYCWKRBR-LLVKDONJSA-N 1 2 390.849 1.152 20 5 GDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292307787 531348572 /nfs/dbraw/zinc/34/85/72/531348572.db2.gz VEBYIMRYCWKRBR-LLVKDONJSA-N 1 2 390.849 1.152 20 5 GDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560172528 531628570 /nfs/dbraw/zinc/62/85/70/531628570.db2.gz RTBVPHYLMNATIC-VIFPVBQESA-N 1 2 396.201 1.697 20 5 GDBDLO COCCOCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000570314849 531936395 /nfs/dbraw/zinc/93/63/95/531936395.db2.gz QDFVNEAEFGSPSR-UHFFFAOYSA-N 1 2 390.234 1.891 20 5 GDBDLO COCCOCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000570314849 531936402 /nfs/dbraw/zinc/93/64/02/531936402.db2.gz QDFVNEAEFGSPSR-UHFFFAOYSA-N 1 2 390.234 1.891 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000599213451 532013119 /nfs/dbraw/zinc/01/31/19/532013119.db2.gz NCAYPJASTDHFGM-SNVBAGLBSA-N 1 2 385.471 1.115 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000599213451 532013123 /nfs/dbraw/zinc/01/31/23/532013123.db2.gz NCAYPJASTDHFGM-SNVBAGLBSA-N 1 2 385.471 1.115 20 5 GDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412331 532137832 /nfs/dbraw/zinc/13/78/32/532137832.db2.gz FMQIZVCTBVVZBE-GFCCVEGCSA-N 1 2 392.275 1.871 20 5 GDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412331 532137834 /nfs/dbraw/zinc/13/78/34/532137834.db2.gz FMQIZVCTBVVZBE-GFCCVEGCSA-N 1 2 392.275 1.871 20 5 GDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000332588780 532197870 /nfs/dbraw/zinc/19/78/70/532197870.db2.gz JMUJWZNDSXHESR-LSDHHAIUSA-N 1 2 398.257 1.831 20 5 GDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000332588780 532197874 /nfs/dbraw/zinc/19/78/74/532197874.db2.gz JMUJWZNDSXHESR-LSDHHAIUSA-N 1 2 398.257 1.831 20 5 GDBDLO CCC[N@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429119356 532224143 /nfs/dbraw/zinc/22/41/43/532224143.db2.gz WBFDVXUSIZWIGJ-UHFFFAOYSA-N 1 2 377.182 1.897 20 5 GDBDLO CCC[N@@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429119356 532224146 /nfs/dbraw/zinc/22/41/46/532224146.db2.gz WBFDVXUSIZWIGJ-UHFFFAOYSA-N 1 2 377.182 1.897 20 5 GDBDLO Cc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229483 606417068 /nfs/dbraw/zinc/41/70/68/606417068.db2.gz VRLKWPZVGBVHHO-ZBEGNZNMSA-N 1 2 381.396 1.961 20 5 GDBDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000820803660 606775407 /nfs/dbraw/zinc/77/54/07/606775407.db2.gz DSMNFFKTTFCJMF-GFCCVEGCSA-N 1 2 381.400 1.276 20 5 GDBDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000820803660 606775409 /nfs/dbraw/zinc/77/54/09/606775409.db2.gz DSMNFFKTTFCJMF-GFCCVEGCSA-N 1 2 381.400 1.276 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cs1 ZINC000119754742 644661610 /nfs/dbraw/zinc/66/16/10/644661610.db2.gz PYYDROJVCBVRHW-LBPRGKRZSA-N 1 2 375.472 1.389 20 5 GDBDLO CCC[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000120217147 644667788 /nfs/dbraw/zinc/66/77/88/644667788.db2.gz HVLWUHDDHUHJKH-LBPRGKRZSA-N 1 2 377.488 1.778 20 5 GDBDLO CCC[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000120217147 644667789 /nfs/dbraw/zinc/66/77/89/644667789.db2.gz HVLWUHDDHUHJKH-LBPRGKRZSA-N 1 2 377.488 1.778 20 5 GDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000132390432 644749123 /nfs/dbraw/zinc/74/91/23/644749123.db2.gz BGMNFMHDYUCCFX-UHFFFAOYSA-N 1 2 375.422 1.120 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c([N+](=O)[O-])s1 ZINC000921321855 660288138 /nfs/dbraw/zinc/28/81/38/660288138.db2.gz KSCYIJTUEKXZLD-GHMZBOCLSA-N 1 2 377.513 1.823 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c([N+](=O)[O-])s1 ZINC000921321855 660288141 /nfs/dbraw/zinc/28/81/41/660288141.db2.gz KSCYIJTUEKXZLD-GHMZBOCLSA-N 1 2 377.513 1.823 20 5 GDBDLO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814474 655137174 /nfs/dbraw/zinc/13/71/74/655137174.db2.gz NICMOMZLUQDNKE-JTQLQIEISA-N 1 2 395.840 1.776 20 5 GDBDLO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814474 655137177 /nfs/dbraw/zinc/13/71/77/655137177.db2.gz NICMOMZLUQDNKE-JTQLQIEISA-N 1 2 395.840 1.776 20 5 GDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000865092823 655912052 /nfs/dbraw/zinc/91/20/52/655912052.db2.gz ZVALFGMSWUKKCL-LLVKDONJSA-N 1 2 386.246 1.737 20 5 GDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000865092823 655912053 /nfs/dbraw/zinc/91/20/53/655912053.db2.gz ZVALFGMSWUKKCL-LLVKDONJSA-N 1 2 386.246 1.737 20 5 GDBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])c(C)c3C)CC2)C1=O ZINC001164639183 719275569 /nfs/dbraw/zinc/27/55/69/719275569.db2.gz JPJOZVBZNPIYGS-UHFFFAOYSA-N 1 2 391.472 1.366 20 5 GDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])c(C)c3C)CC2)C1=O ZINC001164639183 719275573 /nfs/dbraw/zinc/27/55/73/719275573.db2.gz JPJOZVBZNPIYGS-UHFFFAOYSA-N 1 2 391.472 1.366 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001164703881 719840249 /nfs/dbraw/zinc/84/02/49/719840249.db2.gz QWWLIHWMAPXSCR-SJKOYZFVSA-N 1 2 398.847 1.876 20 5 GDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001164706950 719844936 /nfs/dbraw/zinc/84/49/36/719844936.db2.gz YLRDNMWOINQTIP-SJCJKPOMSA-N 1 2 398.847 1.876 20 5 GDBDLO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000823294454 946406122 /nfs/dbraw/zinc/40/61/22/946406122.db2.gz BCMMJVAROJVUGK-UHFFFAOYSA-N 1 2 392.335 1.919 20 5 GDBDLO C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528958 992754374 /nfs/dbraw/zinc/75/43/74/992754374.db2.gz QVRMRJNRVKALQU-UYAOXDASSA-N 1 2 387.436 1.977 20 5 GDBDLO C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528958 992754379 /nfs/dbraw/zinc/75/43/79/992754379.db2.gz QVRMRJNRVKALQU-UYAOXDASSA-N 1 2 387.436 1.977 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000175971787 530674288 /nfs/dbraw/zinc/67/42/88/530674288.db2.gz ZKXLUDMNDUFQKM-LBPRGKRZSA-N 1 2 389.861 1.591 20 5 GDBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000183658162 530818631 /nfs/dbraw/zinc/81/86/31/530818631.db2.gz MQZRSRGQSPSBBU-UHFFFAOYSA-N 1 2 391.877 1.899 20 5 GDBDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111219744 530873183 /nfs/dbraw/zinc/87/31/83/530873183.db2.gz SKBNSRRQWXHGBN-UWVGGRQHSA-N 1 2 399.245 1.882 20 5 GDBDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111219744 530873187 /nfs/dbraw/zinc/87/31/87/530873187.db2.gz SKBNSRRQWXHGBN-UWVGGRQHSA-N 1 2 399.245 1.882 20 5 GDBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000117106809 530910840 /nfs/dbraw/zinc/91/08/40/530910840.db2.gz ZUGLICXRROVLDD-UHFFFAOYSA-N 1 2 377.850 1.325 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000117106837 530911278 /nfs/dbraw/zinc/91/12/78/530911278.db2.gz MMSNBCUQQZYPGD-UHFFFAOYSA-N 1 2 391.877 1.634 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117372144 530912728 /nfs/dbraw/zinc/91/27/28/530912728.db2.gz MYJMVTVAWSPKJN-LBPRGKRZSA-N 1 2 375.422 1.465 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117372144 530912731 /nfs/dbraw/zinc/91/27/31/530912731.db2.gz MYJMVTVAWSPKJN-LBPRGKRZSA-N 1 2 375.422 1.465 20 5 GDBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000122371244 530970342 /nfs/dbraw/zinc/97/03/42/530970342.db2.gz AZLPFFOSSQEPMG-GHMZBOCLSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000122371244 530970344 /nfs/dbraw/zinc/97/03/44/530970344.db2.gz AZLPFFOSSQEPMG-GHMZBOCLSA-N 1 2 377.850 1.324 20 5 GDBDLO Cc1c(Br)cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000127630318 531031561 /nfs/dbraw/zinc/03/15/61/531031561.db2.gz ZLYDHYNWPXGIKH-ZIAGYGMSSA-N 1 2 384.230 1.821 20 5 GDBDLO Cc1c(Br)cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000127630318 531031566 /nfs/dbraw/zinc/03/15/66/531031566.db2.gz ZLYDHYNWPXGIKH-ZIAGYGMSSA-N 1 2 384.230 1.821 20 5 GDBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290811560 531257654 /nfs/dbraw/zinc/25/76/54/531257654.db2.gz SGHHEWOCODKWBY-SNVBAGLBSA-N 1 2 395.840 1.465 20 5 GDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCc2cncs2)CC1 ZINC000411139115 531304575 /nfs/dbraw/zinc/30/45/75/531304575.db2.gz LRTFGAHDKHLZFE-UHFFFAOYSA-N 1 2 382.467 1.600 20 5 GDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000538084302 531465291 /nfs/dbraw/zinc/46/52/91/531465291.db2.gz RETUBXWQZNYGFO-UHFFFAOYSA-N 1 2 379.320 1.613 20 5 GDBDLO Cn1c[nH+]cc1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000558550655 531567528 /nfs/dbraw/zinc/56/75/28/531567528.db2.gz DIWKSPDRMLLUOX-UHFFFAOYSA-N 1 2 386.149 1.863 20 5 GDBDLO NC(=O)c1cc([N+](=O)[O-])cn(Cc2cn3cc(Cl)cc(Cl)c3[nH+]2)c1=O ZINC000503230160 531689660 /nfs/dbraw/zinc/68/96/60/531689660.db2.gz JJJUPBRAUNGEDA-UHFFFAOYSA-N 1 2 382.163 1.858 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000367720422 531856473 /nfs/dbraw/zinc/85/64/73/531856473.db2.gz LIUGMYVXKBASHE-NXEZZACHSA-N 1 2 393.824 1.529 20 5 GDBDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000332288214 532177284 /nfs/dbraw/zinc/17/72/84/532177284.db2.gz IZPHIVMOIIRJHY-ZIAGYGMSSA-N 1 2 399.245 1.311 20 5 GDBDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000332288214 532177287 /nfs/dbraw/zinc/17/72/87/532177287.db2.gz IZPHIVMOIIRJHY-ZIAGYGMSSA-N 1 2 399.245 1.311 20 5 GDBDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000376045960 532193785 /nfs/dbraw/zinc/19/37/85/532193785.db2.gz YFDVMAYBYBSUMK-NSHDSACASA-N 1 2 375.472 1.530 20 5 GDBDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000376045960 532193788 /nfs/dbraw/zinc/19/37/88/532193788.db2.gz YFDVMAYBYBSUMK-NSHDSACASA-N 1 2 375.472 1.530 20 5 GDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000332588778 532197923 /nfs/dbraw/zinc/19/79/23/532197923.db2.gz JMUJWZNDSXHESR-HUUCEWRRSA-N 1 2 398.257 1.831 20 5 GDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000332588778 532197924 /nfs/dbraw/zinc/19/79/24/532197924.db2.gz JMUJWZNDSXHESR-HUUCEWRRSA-N 1 2 398.257 1.831 20 5 GDBDLO COc1c(F)cc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000275077021 532261805 /nfs/dbraw/zinc/26/18/05/532261805.db2.gz MIJKTVGTTFREIR-UHFFFAOYSA-N 1 2 379.435 1.070 20 5 GDBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000275135395 532269065 /nfs/dbraw/zinc/26/90/65/532269065.db2.gz LXRQQHUHQQZPRR-VIFPVBQESA-N 1 2 390.209 1.635 20 5 GDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)S1 ZINC000276130126 532320331 /nfs/dbraw/zinc/32/03/31/532320331.db2.gz AZTMJHIDOUJCMW-LLVKDONJSA-N 1 2 384.483 1.612 20 5 GDBDLO NC(=O)[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000290025571 532335517 /nfs/dbraw/zinc/33/55/17/532335517.db2.gz PUSXJOADFHRKCU-VIFPVBQESA-N 1 2 375.166 1.507 20 5 GDBDLO NC(=O)[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000290025571 532335519 /nfs/dbraw/zinc/33/55/19/532335519.db2.gz PUSXJOADFHRKCU-VIFPVBQESA-N 1 2 375.166 1.507 20 5 GDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826499381 607531247 /nfs/dbraw/zinc/53/12/47/607531247.db2.gz GVRMDIRMEYYTGN-INIZCTEOSA-N 1 2 396.411 1.026 20 5 GDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cn1 ZINC000826498893 608385172 /nfs/dbraw/zinc/38/51/72/608385172.db2.gz NMYOHEIISBFYRG-UHFFFAOYSA-N 1 2 384.375 1.631 20 5 GDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000567868789 650925506 /nfs/dbraw/zinc/92/55/06/650925506.db2.gz GVAQIWVQIQAGMQ-ZDUSSCGKSA-N 1 2 382.829 1.978 20 5 GDBDLO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603239907 652687106 /nfs/dbraw/zinc/68/71/06/652687106.db2.gz MYNSHGLTQNJBHX-UHFFFAOYSA-N 1 2 396.245 1.872 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000604536674 652741178 /nfs/dbraw/zinc/74/11/78/652741178.db2.gz HALBBKMHAVJBFT-LBPRGKRZSA-N 1 2 375.472 1.532 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000604536674 652741182 /nfs/dbraw/zinc/74/11/82/652741182.db2.gz HALBBKMHAVJBFT-LBPRGKRZSA-N 1 2 375.472 1.532 20 5 GDBDLO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795818948 655189170 /nfs/dbraw/zinc/18/91/70/655189170.db2.gz FLEGRJPFQRGNDA-JTQLQIEISA-N 1 2 395.840 1.776 20 5 GDBDLO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795818948 655189173 /nfs/dbraw/zinc/18/91/73/655189173.db2.gz FLEGRJPFQRGNDA-JTQLQIEISA-N 1 2 395.840 1.776 20 5 GDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839502288 655249702 /nfs/dbraw/zinc/24/97/02/655249702.db2.gz ZNRTWBXIMBTLGS-UHFFFAOYSA-N 1 2 385.262 1.739 20 5 GDBDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000849408117 655528838 /nfs/dbraw/zinc/52/88/38/655528838.db2.gz VARMVYONETUSTJ-LLVKDONJSA-N 1 2 375.472 1.530 20 5 GDBDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000849408117 655528839 /nfs/dbraw/zinc/52/88/39/655528839.db2.gz VARMVYONETUSTJ-LLVKDONJSA-N 1 2 375.472 1.530 20 5 GDBDLO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000857648569 655738786 /nfs/dbraw/zinc/73/87/86/655738786.db2.gz XJQZFCGDQIYPKO-LBPRGKRZSA-N 1 2 384.230 1.904 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000907787091 659830765 /nfs/dbraw/zinc/83/07/65/659830765.db2.gz UFDKUHVYDMBXQF-UHFFFAOYSA-N 1 2 390.893 1.425 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000907787091 659830769 /nfs/dbraw/zinc/83/07/69/659830769.db2.gz UFDKUHVYDMBXQF-UHFFFAOYSA-N 1 2 390.893 1.425 20 5 GDBDLO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[NH2+]2)cn1 ZINC000913467373 660081230 /nfs/dbraw/zinc/08/12/30/660081230.db2.gz LOWIIMQXMUAOIM-AWEZNQCLSA-N 1 2 394.229 1.878 20 5 GDBDLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)C1=O ZINC001164632650 719269778 /nfs/dbraw/zinc/26/97/78/719269778.db2.gz AOJHSGVXACTYAY-UHFFFAOYSA-N 1 2 397.863 1.403 20 5 GDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)C1=O ZINC001164632650 719269781 /nfs/dbraw/zinc/26/97/81/719269781.db2.gz AOJHSGVXACTYAY-UHFFFAOYSA-N 1 2 397.863 1.403 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000175464441 530665851 /nfs/dbraw/zinc/66/58/51/530665851.db2.gz FBUCIAXUMHASJF-UHFFFAOYSA-N 1 2 389.861 1.734 20 5 GDBDLO Cc1nn(C)c(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000098101515 530823260 /nfs/dbraw/zinc/82/32/60/530823260.db2.gz SDEYFLMUHMPDJV-UHFFFAOYSA-N 1 2 393.201 1.977 20 5 GDBDLO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000108873637 530860489 /nfs/dbraw/zinc/86/04/89/530860489.db2.gz PRQXETKMJDDYEG-UHFFFAOYSA-N 1 2 375.204 1.532 20 5 GDBDLO CC(C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000119528165 530927641 /nfs/dbraw/zinc/92/76/41/530927641.db2.gz WAOLQZJQPLYKEF-AWEZNQCLSA-N 1 2 391.877 1.883 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000127106921 531026390 /nfs/dbraw/zinc/02/63/90/531026390.db2.gz OMFIAJHPNCJSSL-UHFFFAOYSA-N 1 2 383.455 1.574 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000412107830 531358341 /nfs/dbraw/zinc/35/83/41/531358341.db2.gz RMXWITMWHQAUES-GXFFZTMASA-N 1 2 392.193 1.375 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000412107830 531358343 /nfs/dbraw/zinc/35/83/43/531358343.db2.gz RMXWITMWHQAUES-GXFFZTMASA-N 1 2 392.193 1.375 20 5 GDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000278708727 531381986 /nfs/dbraw/zinc/38/19/86/531381986.db2.gz KKWZSQPHKVSJIB-UHFFFAOYSA-N 1 2 375.422 1.465 20 5 GDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000278708727 531381991 /nfs/dbraw/zinc/38/19/91/531381991.db2.gz KKWZSQPHKVSJIB-UHFFFAOYSA-N 1 2 375.422 1.465 20 5 GDBDLO Cn1c[nH+]c(CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000416532742 531666632 /nfs/dbraw/zinc/66/66/32/531666632.db2.gz IMRLLAMSTGBCAQ-UHFFFAOYSA-N 1 2 389.231 1.612 20 5 GDBDLO CS(=O)(=O)NCC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425446756 532140111 /nfs/dbraw/zinc/14/01/11/532140111.db2.gz QNQPISWIWBVVLP-UHFFFAOYSA-N 1 2 392.275 1.871 20 5 GDBDLO CS(=O)(=O)NCC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425446756 532140114 /nfs/dbraw/zinc/14/01/14/532140114.db2.gz QNQPISWIWBVVLP-UHFFFAOYSA-N 1 2 392.275 1.871 20 5 GDBDLO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262826 599542076 /nfs/dbraw/zinc/54/20/76/599542076.db2.gz ZVGKZMLUEPKNCV-LBPRGKRZSA-N 1 2 397.443 1.371 20 5 GDBDLO Cc1c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000822029458 606784474 /nfs/dbraw/zinc/78/44/74/606784474.db2.gz ZBMOWCWRXKHOOX-GFCCVEGCSA-N 1 2 395.427 1.584 20 5 GDBDLO Cc1c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000822029458 606784475 /nfs/dbraw/zinc/78/44/75/606784475.db2.gz ZBMOWCWRXKHOOX-GFCCVEGCSA-N 1 2 395.427 1.584 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000125489551 644714616 /nfs/dbraw/zinc/71/46/16/644714616.db2.gz LRQCZBDQCYBWMK-UHFFFAOYSA-N 1 2 391.877 1.634 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176721767 644913106 /nfs/dbraw/zinc/91/31/06/644913106.db2.gz VUCNTZAIYUVKKK-LLVKDONJSA-N 1 2 391.877 1.803 20 5 GDBDLO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000920009243 660263192 /nfs/dbraw/zinc/26/31/92/660263192.db2.gz JSTKRYJJOWKRJX-GXFFZTMASA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000920009243 660263194 /nfs/dbraw/zinc/26/31/94/660263194.db2.gz JSTKRYJJOWKRJX-GXFFZTMASA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574624919 651554052 /nfs/dbraw/zinc/55/40/52/651554052.db2.gz UFDDTOGDBHRVCX-SECBINFHSA-N 1 2 385.218 1.458 20 5 GDBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574624919 651554056 /nfs/dbraw/zinc/55/40/56/651554056.db2.gz UFDDTOGDBHRVCX-SECBINFHSA-N 1 2 385.218 1.458 20 5 GDBDLO COCCOCC[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000593518596 652214993 /nfs/dbraw/zinc/21/49/93/652214993.db2.gz TVFAXCIOWZUEKH-UHFFFAOYSA-N 1 2 389.250 1.537 20 5 GDBDLO C[NH+](C)CC(=O)Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768863380 654438138 /nfs/dbraw/zinc/43/81/38/654438138.db2.gz UBVXJCXUZDXAAB-UHFFFAOYSA-N 1 2 384.439 1.957 20 5 GDBDLO C[S@](=O)CC[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000741748468 654691930 /nfs/dbraw/zinc/69/19/30/654691930.db2.gz JUASZMPPGMPBMD-NRFANRHFSA-N 1 2 376.276 1.858 20 5 GDBDLO NC(=O)C[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000808228217 655101668 /nfs/dbraw/zinc/10/16/68/655101668.db2.gz GVRGIERTQCMKNB-SECBINFHSA-N 1 2 397.229 1.468 20 5 GDBDLO NC(=O)C[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000808228217 655101671 /nfs/dbraw/zinc/10/16/71/655101671.db2.gz GVRGIERTQCMKNB-SECBINFHSA-N 1 2 397.229 1.468 20 5 GDBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000765490848 655241408 /nfs/dbraw/zinc/24/14/08/655241408.db2.gz BHXCCWGLTFODNI-UHFFFAOYSA-N 1 2 389.861 1.487 20 5 GDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842881490 655382347 /nfs/dbraw/zinc/38/23/47/655382347.db2.gz ODWSNISVYJAJJU-LBPRGKRZSA-N 1 2 396.238 1.679 20 5 GDBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000882766100 657223018 /nfs/dbraw/zinc/22/30/18/657223018.db2.gz VGDQEMXBCMQZMJ-JTQLQIEISA-N 1 2 378.248 1.730 20 5 GDBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000882766100 657223021 /nfs/dbraw/zinc/22/30/21/657223021.db2.gz VGDQEMXBCMQZMJ-JTQLQIEISA-N 1 2 378.248 1.730 20 5 GDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001164707256 719839265 /nfs/dbraw/zinc/83/92/65/719839265.db2.gz ZVJQPDLARNBLME-SJCJKPOMSA-N 1 2 398.847 1.876 20 5 GDBDLO COc1cc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000826179245 947553452 /nfs/dbraw/zinc/55/34/52/947553452.db2.gz GKXOKAURYODRNV-UHFFFAOYSA-N 1 2 396.411 1.501 20 5 GDBDLO NS(=O)(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000161141635 530557655 /nfs/dbraw/zinc/55/76/55/530557655.db2.gz LLXBMXVPMFZWSJ-UHFFFAOYSA-N 1 2 382.364 1.024 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175464604 530665865 /nfs/dbraw/zinc/66/58/65/530665865.db2.gz SPINYNOBQFOHOD-UHFFFAOYSA-N 1 2 389.861 1.734 20 5 GDBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188311200 530891945 /nfs/dbraw/zinc/89/19/45/530891945.db2.gz PQCVKWROACJFFY-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188311200 530891947 /nfs/dbraw/zinc/89/19/47/530891947.db2.gz PQCVKWROACJFFY-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000123264942 530981959 /nfs/dbraw/zinc/98/19/59/530981959.db2.gz ZIEJBYNYGUMECB-GFCCVEGCSA-N 1 2 391.877 1.634 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000125923285 531012256 /nfs/dbraw/zinc/01/22/56/531012256.db2.gz UYVJTMKADIIHNU-QMTHXVAHSA-N 1 2 377.850 1.554 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000125923285 531012260 /nfs/dbraw/zinc/01/22/60/531012260.db2.gz UYVJTMKADIIHNU-QMTHXVAHSA-N 1 2 377.850 1.554 20 5 GDBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262130582 531109383 /nfs/dbraw/zinc/10/93/83/531109383.db2.gz YDKIKRQJBACMTO-LBPRGKRZSA-N 1 2 385.833 1.317 20 5 GDBDLO CSC[C@@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000265545533 531264472 /nfs/dbraw/zinc/26/44/72/531264472.db2.gz XKFMHZMEUPWVNF-GFCCVEGCSA-N 1 2 388.515 1.694 20 5 GDBDLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000444168352 531396620 /nfs/dbraw/zinc/39/66/20/531396620.db2.gz HKVLOPGVRYGBDU-SNVBAGLBSA-N 1 2 398.268 1.901 20 5 GDBDLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000444168352 531396624 /nfs/dbraw/zinc/39/66/24/531396624.db2.gz HKVLOPGVRYGBDU-SNVBAGLBSA-N 1 2 398.268 1.901 20 5 GDBDLO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000413481965 531407779 /nfs/dbraw/zinc/40/77/79/531407779.db2.gz UVPPWTRRKKVEAB-UHFFFAOYSA-N 1 2 389.250 1.536 20 5 GDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000610261843 531499051 /nfs/dbraw/zinc/49/90/51/531499051.db2.gz YDYUOWWDQTUQPY-UHFFFAOYSA-N 1 2 382.467 1.600 20 5 GDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000284439757 531958231 /nfs/dbraw/zinc/95/82/31/531958231.db2.gz JVPBEAOJECHCPF-UONOGXRCSA-N 1 2 384.230 1.902 20 5 GDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000284439757 531958237 /nfs/dbraw/zinc/95/82/37/531958237.db2.gz JVPBEAOJECHCPF-UONOGXRCSA-N 1 2 384.230 1.902 20 5 GDBDLO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000425441743 532140041 /nfs/dbraw/zinc/14/00/41/532140041.db2.gz GJFRFFSWDTZFML-GFCCVEGCSA-N 1 2 392.275 1.823 20 5 GDBDLO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000425441743 532140044 /nfs/dbraw/zinc/14/00/44/532140044.db2.gz GJFRFFSWDTZFML-GFCCVEGCSA-N 1 2 392.275 1.823 20 5 GDBDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000377786420 532274008 /nfs/dbraw/zinc/27/40/08/532274008.db2.gz 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20 5 GDBDLO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000572928659 651462903 /nfs/dbraw/zinc/46/29/03/651462903.db2.gz DGHJZQXSNIDMBR-GFCCVEGCSA-N 1 2 384.241 1.247 20 5 GDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000592390780 652189038 /nfs/dbraw/zinc/18/90/38/652189038.db2.gz WSESELRYHYYLOU-GFCCVEGCSA-N 1 2 396.238 1.679 20 5 GDBDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611971597 652924279 /nfs/dbraw/zinc/92/42/79/652924279.db2.gz UKQMFFCXOVAYAX-UHFFFAOYSA-N 1 2 389.231 1.612 20 5 GDBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749992415 654846308 /nfs/dbraw/zinc/84/63/08/654846308.db2.gz ZAALGDRYUNAUAC-UHFFFAOYSA-N 1 2 389.861 1.487 20 5 GDBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830455663 654945836 /nfs/dbraw/zinc/94/58/36/654945836.db2.gz CTOBYZKKMINLAA-SECBINFHSA-N 1 2 397.284 1.426 20 5 GDBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830455663 654945837 /nfs/dbraw/zinc/94/58/37/654945837.db2.gz CTOBYZKKMINLAA-SECBINFHSA-N 1 2 397.284 1.426 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000831810794 654998358 /nfs/dbraw/zinc/99/83/58/654998358.db2.gz XCOFVDJHMCAJRP-JTQLQIEISA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000831810794 654998361 /nfs/dbraw/zinc/99/83/61/654998361.db2.gz XCOFVDJHMCAJRP-JTQLQIEISA-N 1 2 395.840 1.512 20 5 GDBDLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036544 655281845 /nfs/dbraw/zinc/28/18/45/655281845.db2.gz XXNFLUVWRZTFFM-SECBINFHSA-N 1 2 381.813 1.386 20 5 GDBDLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036544 655281847 /nfs/dbraw/zinc/28/18/47/655281847.db2.gz XXNFLUVWRZTFFM-SECBINFHSA-N 1 2 381.813 1.386 20 5 GDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842881489 655382335 /nfs/dbraw/zinc/38/23/35/655382335.db2.gz ODWSNISVYJAJJU-GFCCVEGCSA-N 1 2 396.238 1.679 20 5 GDBDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000822750544 655450432 /nfs/dbraw/zinc/45/04/32/655450432.db2.gz NJTCEVNCNNYZIF-QFIPXVFZSA-N 1 2 390.303 1.853 20 5 GDBDLO CN1CC[NH+](CCCS(=O)(=O)Oc2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000872641034 656369053 /nfs/dbraw/zinc/36/90/53/656369053.db2.gz XDWQVEXBZPFQAH-UHFFFAOYSA-N 1 2 395.840 1.733 20 5 GDBDLO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000907787082 659830796 /nfs/dbraw/zinc/83/07/96/659830796.db2.gz SZEYSJAJBMVQOS-UHFFFAOYSA-N 1 2 376.866 1.116 20 5 GDBDLO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000907787082 659830802 /nfs/dbraw/zinc/83/08/02/659830802.db2.gz SZEYSJAJBMVQOS-UHFFFAOYSA-N 1 2 376.866 1.116 20 5 GDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001164696659 719840008 /nfs/dbraw/zinc/84/00/08/719840008.db2.gz ATRFTKCLTOSXCX-PXAZEXFGSA-N 1 2 398.847 1.876 20 5 GDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164716191 720222214 /nfs/dbraw/zinc/22/22/14/720222214.db2.gz AVWAFGLZEPPCLG-KRWDZBQOSA-N 1 2 397.863 1.308 20 5 GDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164716191 720222224 /nfs/dbraw/zinc/22/22/24/720222224.db2.gz AVWAFGLZEPPCLG-KRWDZBQOSA-N 1 2 397.863 1.308 20 5 GDBDLO Nc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001164947089 721975714 /nfs/dbraw/zinc/97/57/14/721975714.db2.gz NSBYVUQMWHFZDJ-UHFFFAOYSA-N 1 2 396.451 1.543 20 5 GDBDLO Nc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001164947089 721975715 /nfs/dbraw/zinc/97/57/15/721975715.db2.gz NSBYVUQMWHFZDJ-UHFFFAOYSA-N 1 2 396.451 1.543 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055238740 530706393 /nfs/dbraw/zinc/70/63/93/530706393.db2.gz TVVUMQLLBXUDTD-SDDRHHMPSA-N 1 2 375.422 1.510 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055238740 530706396 /nfs/dbraw/zinc/70/63/96/530706396.db2.gz TVVUMQLLBXUDTD-SDDRHHMPSA-N 1 2 375.422 1.510 20 5 GDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000117369637 530912924 /nfs/dbraw/zinc/91/29/24/530912924.db2.gz PBBCLQYXTMRVJT-NSHDSACASA-N 1 2 377.850 1.589 20 5 GDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000117369637 530912927 /nfs/dbraw/zinc/91/29/27/530912927.db2.gz PBBCLQYXTMRVJT-NSHDSACASA-N 1 2 377.850 1.589 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000245777537 531060429 /nfs/dbraw/zinc/06/04/29/531060429.db2.gz BGWHAUWTMQVEHR-AAEUAGOBSA-N 1 2 391.877 1.714 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000245777537 531060431 /nfs/dbraw/zinc/06/04/31/531060431.db2.gz BGWHAUWTMQVEHR-AAEUAGOBSA-N 1 2 391.877 1.714 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363197520 531476546 /nfs/dbraw/zinc/47/65/46/531476546.db2.gz OUUBLCRQNVKDIV-GHMZBOCLSA-N 1 2 375.834 1.390 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363197520 531476549 /nfs/dbraw/zinc/47/65/49/531476549.db2.gz OUUBLCRQNVKDIV-GHMZBOCLSA-N 1 2 375.834 1.390 20 5 GDBDLO COc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000537863894 531463342 /nfs/dbraw/zinc/46/33/42/531463342.db2.gz HFOIFLZLFAOKFZ-SECBINFHSA-N 1 2 381.357 1.068 20 5 GDBDLO COc1cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000537863894 531463347 /nfs/dbraw/zinc/46/33/47/531463347.db2.gz HFOIFLZLFAOKFZ-SECBINFHSA-N 1 2 381.357 1.068 20 5 GDBDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295193440 531537279 /nfs/dbraw/zinc/53/72/79/531537279.db2.gz UDUKPFCLKYJHPI-SECBINFHSA-N 1 2 398.268 1.589 20 5 GDBDLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551712781 531544520 /nfs/dbraw/zinc/54/45/20/531544520.db2.gz QUIBMEQNOUCGED-UHFFFAOYSA-N 1 2 396.201 1.699 20 5 GDBDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416667184 531731940 /nfs/dbraw/zinc/73/19/40/531731940.db2.gz PMRGGEULFVKKNP-GHMZBOCLSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416667184 531731946 /nfs/dbraw/zinc/73/19/46/531731946.db2.gz PMRGGEULFVKKNP-GHMZBOCLSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@](O)(CNc1ncc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000301671487 532037698 /nfs/dbraw/zinc/03/76/98/532037698.db2.gz FPOYMEWUMOBZRS-ZDUSSCGKSA-N 1 2 375.223 1.247 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000374800636 532137993 /nfs/dbraw/zinc/13/79/93/532137993.db2.gz PTUFFEKVWYFZOF-JSGCOSHPSA-N 1 2 389.861 1.468 20 5 GDBDLO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289574468 532328108 /nfs/dbraw/zinc/32/81/08/532328108.db2.gz OQEUFQSWZMWFEE-UHFFFAOYSA-N 1 2 387.215 1.758 20 5 GDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1-c1nn[nH]n1 ZINC000826498790 607452405 /nfs/dbraw/zinc/45/24/05/607452405.db2.gz JRWQSJHLLOTKND-UHFFFAOYSA-N 1 2 381.396 1.803 20 5 GDBDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)o1 ZINC000822389339 607174694 /nfs/dbraw/zinc/17/46/94/607174694.db2.gz SOIDRCCBZGYSKX-LLVKDONJSA-N 1 2 385.388 1.177 20 5 GDBDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)o1 ZINC000822389339 607174695 /nfs/dbraw/zinc/17/46/95/607174695.db2.gz SOIDRCCBZGYSKX-LLVKDONJSA-N 1 2 385.388 1.177 20 5 GDBDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000826287781 608835863 /nfs/dbraw/zinc/83/58/63/608835863.db2.gz CUBFAAYENWUTEC-ZDUSSCGKSA-N 1 2 395.427 1.584 20 5 GDBDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000826287781 608835866 /nfs/dbraw/zinc/83/58/66/608835866.db2.gz CUBFAAYENWUTEC-ZDUSSCGKSA-N 1 2 395.427 1.584 20 5 GDBDLO COCc1cnc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000540070067 650348964 /nfs/dbraw/zinc/34/89/64/650348964.db2.gz URFVIVDKWWVHKG-UHFFFAOYSA-N 1 2 386.455 1.266 20 5 GDBDLO O=C(Nc1n[nH]cc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000581258073 651967863 /nfs/dbraw/zinc/96/78/63/651967863.db2.gz OPJDKTHCUJOVKV-UHFFFAOYSA-N 1 2 377.158 2.518 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC000601366563 652571481 /nfs/dbraw/zinc/57/14/81/652571481.db2.gz KXENISSVWCBFMZ-GFCCVEGCSA-N 1 2 375.472 1.308 20 5 GDBDLO C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000618383319 652982259 /nfs/dbraw/zinc/98/22/59/652982259.db2.gz DNNMUNMHAGPYAS-IONNQARKSA-N 1 2 378.248 1.868 20 5 GDBDLO C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000618383319 652982261 /nfs/dbraw/zinc/98/22/61/652982261.db2.gz DNNMUNMHAGPYAS-IONNQARKSA-N 1 2 378.248 1.868 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000831804659 654997882 /nfs/dbraw/zinc/99/78/82/654997882.db2.gz KVBRZTBGLWOYCM-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000831804659 654997884 /nfs/dbraw/zinc/99/78/84/654997884.db2.gz KVBRZTBGLWOYCM-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO COC1CC[NH+](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795878743 655192972 /nfs/dbraw/zinc/19/29/72/655192972.db2.gz YDPXPRDVIOSDFQ-UHFFFAOYSA-N 1 2 395.840 1.776 20 5 GDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865171485 655913689 /nfs/dbraw/zinc/91/36/89/655913689.db2.gz LPTBHFVTWTVFRG-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865171485 655913690 /nfs/dbraw/zinc/91/36/90/655913690.db2.gz LPTBHFVTWTVFRG-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO Cn1cc([C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[NH2+]2)cn1 ZINC000913455191 660080533 /nfs/dbraw/zinc/08/05/33/660080533.db2.gz DVYWZSVUJAWCOC-LBPRGKRZSA-N 1 2 394.229 1.878 20 5 GDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001164703880 719840445 /nfs/dbraw/zinc/84/04/45/719840445.db2.gz QWWLIHWMAPXSCR-SJCJKPOMSA-N 1 2 398.847 1.876 20 5 GDBDLO COCCC[NH+]1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129159011 531048150 /nfs/dbraw/zinc/04/81/50/531048150.db2.gz CVDIOJWZEUWBSG-UHFFFAOYSA-N 1 2 377.488 1.973 20 5 GDBDLO CN1C(=O)NC2(CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1=O ZINC000278663690 531378131 /nfs/dbraw/zinc/37/81/31/531378131.db2.gz QNQAJZBXFAEAKJ-UHFFFAOYSA-N 1 2 397.229 1.874 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451673813 531664061 /nfs/dbraw/zinc/66/40/61/531664061.db2.gz XBBATPNBHXUZJY-LLVKDONJSA-N 1 2 377.850 1.373 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451673813 531664070 /nfs/dbraw/zinc/66/40/70/531664070.db2.gz XBBATPNBHXUZJY-LLVKDONJSA-N 1 2 377.850 1.373 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451896580 531708673 /nfs/dbraw/zinc/70/86/73/531708673.db2.gz UZCLLUXBNXFESE-GXFFZTMASA-N 1 2 382.360 1.614 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451896580 531708677 /nfs/dbraw/zinc/70/86/77/531708677.db2.gz UZCLLUXBNXFESE-GXFFZTMASA-N 1 2 382.360 1.614 20 5 GDBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000283659798 531884056 /nfs/dbraw/zinc/88/40/56/531884056.db2.gz ZBSMDIRLCFPIHY-NXEZZACHSA-N 1 2 395.840 1.463 20 5 GDBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000283659798 531884062 /nfs/dbraw/zinc/88/40/62/531884062.db2.gz ZBSMDIRLCFPIHY-NXEZZACHSA-N 1 2 395.840 1.463 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)c1 ZINC000595875591 531891669 /nfs/dbraw/zinc/89/16/69/531891669.db2.gz ABRIAINDLYGFBL-CQSZACIVSA-N 1 2 397.229 1.809 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)c1 ZINC000595875591 531891678 /nfs/dbraw/zinc/89/16/78/531891678.db2.gz ABRIAINDLYGFBL-CQSZACIVSA-N 1 2 397.229 1.809 20 5 GDBDLO Cc1c(Br)cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000271052102 531959992 /nfs/dbraw/zinc/95/99/92/531959992.db2.gz TXKGARDVQCXWQP-UHFFFAOYSA-N 1 2 399.245 1.217 20 5 GDBDLO Cc1c(Br)cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000271052102 531959998 /nfs/dbraw/zinc/95/99/98/531959998.db2.gz TXKGARDVQCXWQP-UHFFFAOYSA-N 1 2 399.245 1.217 20 5 GDBDLO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000573047709 531974946 /nfs/dbraw/zinc/97/49/46/531974946.db2.gz YPDFPQADSPNOCQ-LLVKDONJSA-N 1 2 375.166 1.520 20 5 GDBDLO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000573047709 531974950 /nfs/dbraw/zinc/97/49/50/531974950.db2.gz YPDFPQADSPNOCQ-LLVKDONJSA-N 1 2 375.166 1.520 20 5 GDBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271185120 531976671 /nfs/dbraw/zinc/97/66/71/531976671.db2.gz NBJGQYIMOLXLHH-SNVBAGLBSA-N 1 2 379.385 1.697 20 5 GDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271185120 531976680 /nfs/dbraw/zinc/97/66/80/531976680.db2.gz NBJGQYIMOLXLHH-SNVBAGLBSA-N 1 2 379.385 1.697 20 5 GDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000599206499 532011775 /nfs/dbraw/zinc/01/17/75/532011775.db2.gz PIRPISLUVNNAEX-LBPRGKRZSA-N 1 2 387.849 1.563 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOc3c(Br)cccc3C2)c1 ZINC000373407950 532079082 /nfs/dbraw/zinc/07/90/82/532079082.db2.gz WFNGOLQAZXKQAN-CYBMUJFWSA-N 1 2 397.229 1.809 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOc3c(Br)cccc3C2)c1 ZINC000373407950 532079083 /nfs/dbraw/zinc/07/90/83/532079083.db2.gz WFNGOLQAZXKQAN-CYBMUJFWSA-N 1 2 397.229 1.809 20 5 GDBDLO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289761914 532331976 /nfs/dbraw/zinc/33/19/76/532331976.db2.gz JQFWRVVMYPZXTE-SNVBAGLBSA-N 1 2 389.193 1.897 20 5 GDBDLO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289761914 532331978 /nfs/dbraw/zinc/33/19/78/532331978.db2.gz JQFWRVVMYPZXTE-SNVBAGLBSA-N 1 2 389.193 1.897 20 5 GDBDLO O=[N+]([O-])c1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(-c2nn[nH]n2)c1 ZINC000738368028 598559525 /nfs/dbraw/zinc/55/95/25/598559525.db2.gz YTNSRCCGVKADEZ-UHFFFAOYSA-N 1 2 385.388 1.047 20 5 GDBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000826500396 608706320 /nfs/dbraw/zinc/70/63/20/608706320.db2.gz XCFDMWLQCMBQTL-UHFFFAOYSA-N 1 2 376.380 1.981 20 5 GDBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000826500396 608706321 /nfs/dbraw/zinc/70/63/21/608706321.db2.gz XCFDMWLQCMBQTL-UHFFFAOYSA-N 1 2 376.380 1.981 20 5 GDBDLO Cc1c(Br)c(N(C)C[C@@H](O)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000544393925 650439120 /nfs/dbraw/zinc/43/91/20/650439120.db2.gz BJXCUPZYYPLQDT-LLVKDONJSA-N 1 2 389.250 1.190 20 5 GDBDLO Cc1c(Br)c(N(C)C[C@H](O)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000544393926 650439145 /nfs/dbraw/zinc/43/91/45/650439145.db2.gz BJXCUPZYYPLQDT-NSHDSACASA-N 1 2 389.250 1.190 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1Br ZINC000179585887 644934079 /nfs/dbraw/zinc/93/40/79/644934079.db2.gz JUYLBGCFSZPFBE-UHFFFAOYSA-N 1 2 389.231 1.922 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000367559368 645603233 /nfs/dbraw/zinc/60/32/33/645603233.db2.gz LHJRZTAGMZTWLQ-KOLCDFICSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000367559368 645603240 /nfs/dbraw/zinc/60/32/40/645603240.db2.gz LHJRZTAGMZTWLQ-KOLCDFICSA-N 1 2 393.824 1.529 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000601357976 652570315 /nfs/dbraw/zinc/57/03/15/652570315.db2.gz ZTAJOYZVANWACK-GFCCVEGCSA-N 1 2 375.472 1.308 20 5 GDBDLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000789598399 655029401 /nfs/dbraw/zinc/02/94/01/655029401.db2.gz ZAJCAIGYSFJELS-UHFFFAOYSA-N 1 2 386.155 1.554 20 5 GDBDLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000789600918 655029628 /nfs/dbraw/zinc/02/96/28/655029628.db2.gz ICTUTVXOLSKKGS-UHFFFAOYSA-N 1 2 386.155 1.554 20 5 GDBDLO CC[N@H+](CC(=O)NC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000809934861 655144311 /nfs/dbraw/zinc/14/43/11/655144311.db2.gz JYUDQZYPRMHQAO-UHFFFAOYSA-N 1 2 377.182 1.767 20 5 GDBDLO CC[N@@H+](CC(=O)NC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000809934861 655144313 /nfs/dbraw/zinc/14/43/13/655144313.db2.gz JYUDQZYPRMHQAO-UHFFFAOYSA-N 1 2 377.182 1.767 20 5 GDBDLO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795804035 655188306 /nfs/dbraw/zinc/18/83/06/655188306.db2.gz OLSPHCNJJQEZLS-QMMMGPOBSA-N 1 2 396.238 1.869 20 5 GDBDLO C[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795804035 655188309 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RXXGEFCXIZHESQ-UHFFFAOYSA-N 1 2 379.385 1.096 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[N@H+](CCO)CC1 ZINC000110541423 530868122 /nfs/dbraw/zinc/86/81/22/530868122.db2.gz RXXGEFCXIZHESQ-UHFFFAOYSA-N 1 2 379.385 1.096 20 5 GDBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111219749 530872909 /nfs/dbraw/zinc/87/29/09/530872909.db2.gz SKBNSRRQWXHGBN-VHSXEESVSA-N 1 2 399.245 1.882 20 5 GDBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111219749 530872913 /nfs/dbraw/zinc/87/29/13/530872913.db2.gz SKBNSRRQWXHGBN-VHSXEESVSA-N 1 2 399.245 1.882 20 5 GDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000123270772 530981667 /nfs/dbraw/zinc/98/16/67/530981667.db2.gz MSXRFWAOYBGICF-NSHDSACASA-N 1 2 377.850 1.325 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000193984660 530997434 /nfs/dbraw/zinc/99/74/34/530997434.db2.gz DPXSNJDAQIHWKK-NWDGAFQWSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000193984660 530997438 /nfs/dbraw/zinc/99/74/38/530997438.db2.gz DPXSNJDAQIHWKK-NWDGAFQWSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1sc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000124648116 530998430 /nfs/dbraw/zinc/99/84/30/530998430.db2.gz OUOBKYWZJCXVDK-NSHDSACASA-N 1 2 376.504 1.127 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000245777418 531060646 /nfs/dbraw/zinc/06/06/46/531060646.db2.gz BFRUYLSSRYMUTI-MNOVXSKESA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000245777418 531060649 /nfs/dbraw/zinc/06/06/49/531060649.db2.gz BFRUYLSSRYMUTI-MNOVXSKESA-N 1 2 377.850 1.324 20 5 GDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278846478 531395844 /nfs/dbraw/zinc/39/58/44/531395844.db2.gz WKOACIOSIGXNTL-UHFFFAOYSA-N 1 2 391.877 1.980 20 5 GDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278846478 531395847 /nfs/dbraw/zinc/39/58/47/531395847.db2.gz WKOACIOSIGXNTL-UHFFFAOYSA-N 1 2 391.877 1.980 20 5 GDBDLO O=C1CN(c2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000301697320 532037539 /nfs/dbraw/zinc/03/75/39/532037539.db2.gz QNDTUQNSABZFNS-UHFFFAOYSA-N 1 2 393.201 1.827 20 5 GDBDLO COc1cc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000274319809 532202670 /nfs/dbraw/zinc/20/26/70/532202670.db2.gz OJVJYXVNHHDMOJ-NSHDSACASA-N 1 2 375.422 1.504 20 5 GDBDLO COc1cc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000274319809 532202673 /nfs/dbraw/zinc/20/26/73/532202673.db2.gz OJVJYXVNHHDMOJ-NSHDSACASA-N 1 2 375.422 1.504 20 5 GDBDLO NS(=O)(=O)CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289346356 532322131 /nfs/dbraw/zinc/32/21/31/532322131.db2.gz KBZJBGHMFYOBCU-UHFFFAOYSA-N 1 2 397.284 1.308 20 5 GDBDLO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000823652283 599317434 /nfs/dbraw/zinc/31/74/34/599317434.db2.gz YSHXJHOBIGUSIY-UHFFFAOYSA-N 1 2 396.411 1.614 20 5 GDBDLO Cc1cccc(NC[C@@H]2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)[nH+]1 ZINC000822324205 606705432 /nfs/dbraw/zinc/70/54/32/606705432.db2.gz XLHSDGMGDXUPTB-LBPRGKRZSA-N 1 2 381.400 1.812 20 5 GDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826498990 608502871 /nfs/dbraw/zinc/50/28/71/608502871.db2.gz RAOLJIYRYGNRIO-UHFFFAOYSA-N 1 2 395.423 1.798 20 5 GDBDLO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000515082697 648480444 /nfs/dbraw/zinc/48/04/44/648480444.db2.gz QBVNEEWZWAVTJR-UHFFFAOYSA-N 1 2 390.893 1.554 20 5 GDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769504620 654467481 /nfs/dbraw/zinc/46/74/81/654467481.db2.gz WPUSYAINJPWHEA-UHFFFAOYSA-N 1 2 385.262 1.739 20 5 GDBDLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000831190743 654975380 /nfs/dbraw/zinc/97/53/80/654975380.db2.gz IHMYBGQPSIRFOQ-SECBINFHSA-N 1 2 398.268 1.901 20 5 GDBDLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000831190743 654975384 /nfs/dbraw/zinc/97/53/84/654975384.db2.gz IHMYBGQPSIRFOQ-SECBINFHSA-N 1 2 398.268 1.901 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000831804498 654997871 /nfs/dbraw/zinc/99/78/71/654997871.db2.gz IPZJXUJQHDUYEV-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000831804498 654997873 /nfs/dbraw/zinc/99/78/73/654997873.db2.gz IPZJXUJQHDUYEV-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000807285421 655080858 /nfs/dbraw/zinc/08/08/58/655080858.db2.gz WBHXIUODORSCQL-JTQLQIEISA-N 1 2 397.185 1.525 20 5 GDBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](CO)C1 ZINC000912743019 660051179 /nfs/dbraw/zinc/05/11/79/660051179.db2.gz NEIPHYZRFMUULJ-SECBINFHSA-N 1 2 376.182 1.245 20 5 GDBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](CO)C1 ZINC000912743019 660051181 /nfs/dbraw/zinc/05/11/81/660051181.db2.gz NEIPHYZRFMUULJ-SECBINFHSA-N 1 2 376.182 1.245 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001164707258 719839212 /nfs/dbraw/zinc/83/92/12/719839212.db2.gz ZVJQPDLARNBLME-YVEFUNNKSA-N 1 2 398.847 1.876 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001164706956 719844783 /nfs/dbraw/zinc/84/47/83/719844783.db2.gz YLRDNMWOINQTIP-YVEFUNNKSA-N 1 2 398.847 1.876 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000173456047 530630376 /nfs/dbraw/zinc/63/03/76/530630376.db2.gz HBHKJWTXSNZZSK-GFCCVEGCSA-N 1 2 390.893 1.410 20 5 GDBDLO CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000055236086 530706202 /nfs/dbraw/zinc/70/62/02/530706202.db2.gz SYKLJGUMCKLXJN-CQSZACIVSA-N 1 2 375.422 1.369 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCOC ZINC000117372318 530913072 /nfs/dbraw/zinc/91/30/72/530913072.db2.gz YTPGVIVKZOZVGC-GFCCVEGCSA-N 1 2 391.877 1.980 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCOC ZINC000117372318 530913075 /nfs/dbraw/zinc/91/30/75/530913075.db2.gz YTPGVIVKZOZVGC-GFCCVEGCSA-N 1 2 391.877 1.980 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000122717902 530975600 /nfs/dbraw/zinc/97/56/00/530975600.db2.gz PBVVEMHBXZQJOI-NEPJUHHUSA-N 1 2 391.877 1.714 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000122717902 530975601 /nfs/dbraw/zinc/97/56/01/530975601.db2.gz PBVVEMHBXZQJOI-NEPJUHHUSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000125992882 531013367 /nfs/dbraw/zinc/01/33/67/531013367.db2.gz OIBQXSPDMJASFV-UFBFGSQYSA-N 1 2 398.268 1.899 20 5 GDBDLO C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000125992882 531013371 /nfs/dbraw/zinc/01/33/71/531013371.db2.gz OIBQXSPDMJASFV-UFBFGSQYSA-N 1 2 398.268 1.899 20 5 GDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264147528 531170482 /nfs/dbraw/zinc/17/04/82/531170482.db2.gz ZJZKGTPHHCTKLV-UHFFFAOYSA-N 1 2 389.231 1.912 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c1Cl ZINC000295410448 531574109 /nfs/dbraw/zinc/57/41/09/531574109.db2.gz UGDJRXXRNLBROG-UHFFFAOYSA-N 1 2 398.268 1.637 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1Cl ZINC000295508710 531590291 /nfs/dbraw/zinc/59/02/91/531590291.db2.gz HTMJCSAJCQBQRO-UHFFFAOYSA-N 1 2 398.268 1.590 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1Cl ZINC000295508710 531590302 /nfs/dbraw/zinc/59/03/02/531590302.db2.gz HTMJCSAJCQBQRO-UHFFFAOYSA-N 1 2 398.268 1.590 20 5 GDBDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000290038893 532335715 /nfs/dbraw/zinc/33/57/15/532335715.db2.gz ZMUOXLLQXKOZCX-SECBINFHSA-N 1 2 398.268 1.589 20 5 GDBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1-c1nn[nH]n1 ZINC000826498671 607452399 /nfs/dbraw/zinc/45/23/99/607452399.db2.gz FCSAXKSIAKJVNE-INIZCTEOSA-N 1 2 391.457 1.395 20 5 GDBDLO O=C(OCc1ccnc(-c2nn[nH]n2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000823436135 606651624 /nfs/dbraw/zinc/65/16/24/606651624.db2.gz IMKUXXIHWGYMHM-UHFFFAOYSA-N 1 2 392.335 1.713 20 5 GDBDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000820804139 606775595 /nfs/dbraw/zinc/77/55/95/606775595.db2.gz NCLOSRGYFIPJLP-GFCCVEGCSA-N 1 2 381.400 1.276 20 5 GDBDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000820804139 606775596 /nfs/dbraw/zinc/77/55/96/606775596.db2.gz NCLOSRGYFIPJLP-GFCCVEGCSA-N 1 2 381.400 1.276 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(Br)c1 ZINC000542983672 650416434 /nfs/dbraw/zinc/41/64/34/650416434.db2.gz PTIUVEWFJRWZFT-UHFFFAOYSA-N 1 2 387.215 1.799 20 5 GDBDLO NS(=O)(=O)c1cccc(N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000544678698 650444200 /nfs/dbraw/zinc/44/42/00/650444200.db2.gz DXFFLHSAOSNEPU-UHFFFAOYSA-N 1 2 382.467 1.626 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917061662 660205087 /nfs/dbraw/zinc/20/50/87/660205087.db2.gz OHJFGQQFBSLQEI-SNVBAGLBSA-N 1 2 392.840 1.056 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917061662 660205088 /nfs/dbraw/zinc/20/50/88/660205088.db2.gz OHJFGQQFBSLQEI-SNVBAGLBSA-N 1 2 392.840 1.056 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000919989041 660261610 /nfs/dbraw/zinc/26/16/10/660261610.db2.gz HSBWVBMIFTUSCW-BXKDBHETSA-N 1 2 394.856 1.300 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@H]1C[N@@H+](C)CCN1C ZINC000919989041 660261612 /nfs/dbraw/zinc/26/16/12/660261612.db2.gz HSBWVBMIFTUSCW-BXKDBHETSA-N 1 2 394.856 1.300 20 5 GDBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nncn1C ZINC000494796335 648006959 /nfs/dbraw/zinc/00/69/59/648006959.db2.gz SMPZWZWHOFASDE-QMMMGPOBSA-N 1 2 383.206 1.775 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000601363528 652571043 /nfs/dbraw/zinc/57/10/43/652571043.db2.gz QHNLYMATKVMKRV-UHFFFAOYSA-N 1 2 375.472 1.450 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000601462256 652585275 /nfs/dbraw/zinc/58/52/75/652585275.db2.gz VCNVCOCLKSAHLS-NSHDSACASA-N 1 2 389.499 1.839 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000601462256 652585278 /nfs/dbraw/zinc/58/52/78/652585278.db2.gz VCNVCOCLKSAHLS-NSHDSACASA-N 1 2 389.499 1.839 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000601473206 652586078 /nfs/dbraw/zinc/58/60/78/652586078.db2.gz CNNWSFYQVPVIOH-UHFFFAOYSA-N 1 2 375.472 1.450 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)ccc1Br ZINC000782477740 654832799 /nfs/dbraw/zinc/83/27/99/654832799.db2.gz FFFGHQGKJOVLJO-UHFFFAOYSA-N 1 2 387.215 1.799 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000831805794 654998112 /nfs/dbraw/zinc/99/81/12/654998112.db2.gz ZKYLTVXCGJXDMF-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000831805794 654998114 /nfs/dbraw/zinc/99/81/14/654998114.db2.gz ZKYLTVXCGJXDMF-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814475 655137220 /nfs/dbraw/zinc/13/72/20/655137220.db2.gz NICMOMZLUQDNKE-SNVBAGLBSA-N 1 2 395.840 1.776 20 5 GDBDLO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814475 655137224 /nfs/dbraw/zinc/13/72/24/655137224.db2.gz NICMOMZLUQDNKE-SNVBAGLBSA-N 1 2 395.840 1.776 20 5 GDBDLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815011470 655277899 /nfs/dbraw/zinc/27/78/99/655277899.db2.gz NMOLJMAXPGEEEE-SNVBAGLBSA-N 1 2 395.840 1.776 20 5 GDBDLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815011470 655277900 /nfs/dbraw/zinc/27/79/00/655277900.db2.gz NMOLJMAXPGEEEE-SNVBAGLBSA-N 1 2 395.840 1.776 20 5 GDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC)c([N+](=O)[O-])cn1 ZINC001164705976 719850768 /nfs/dbraw/zinc/85/07/68/719850768.db2.gz VTHAZVYRTHAEFE-UGSOOPFHSA-N 1 2 394.428 1.231 20 5 GDBDLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913058 721768817 /nfs/dbraw/zinc/76/88/17/721768817.db2.gz UTRRQJWFWDZBRR-FQEVSTJZSA-N 1 2 399.451 1.801 20 5 GDBDLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913058 721768823 /nfs/dbraw/zinc/76/88/23/721768823.db2.gz UTRRQJWFWDZBRR-FQEVSTJZSA-N 1 2 399.451 1.801 20 5 GDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912718 721769100 /nfs/dbraw/zinc/76/91/00/721769100.db2.gz OXSXBRJNCWUOKY-FQEVSTJZSA-N 1 2 399.451 1.801 20 5 GDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912718 721769101 /nfs/dbraw/zinc/76/91/01/721769101.db2.gz OXSXBRJNCWUOKY-FQEVSTJZSA-N 1 2 399.451 1.801 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CCOCC3)CC2)s1 ZINC000172463769 530613286 /nfs/dbraw/zinc/61/32/86/530613286.db2.gz LDECKEFXPYBGOT-UHFFFAOYSA-N 1 2 375.472 1.389 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000173455939 530630960 /nfs/dbraw/zinc/63/09/60/530630960.db2.gz WKAZDBCVIWNKDY-LBPRGKRZSA-N 1 2 390.893 1.410 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173539186 530632242 /nfs/dbraw/zinc/63/22/42/530632242.db2.gz MFHIBUNPTXPODE-LBPRGKRZSA-N 1 2 389.861 1.591 20 5 GDBDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055235458 530706488 /nfs/dbraw/zinc/70/64/88/530706488.db2.gz MSISQXPJJMGTLL-CYBMUJFWSA-N 1 2 375.422 1.369 20 5 GDBDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055235458 530706491 /nfs/dbraw/zinc/70/64/91/530706491.db2.gz MSISQXPJJMGTLL-CYBMUJFWSA-N 1 2 375.422 1.369 20 5 GDBDLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188801680 530902034 /nfs/dbraw/zinc/90/20/34/530902034.db2.gz IEZJTLRPUKGJMQ-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188801680 530902035 /nfs/dbraw/zinc/90/20/35/530902035.db2.gz IEZJTLRPUKGJMQ-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189080861 530907747 /nfs/dbraw/zinc/90/77/47/530907747.db2.gz SIAJGUIFOLLRAR-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189080861 530907749 /nfs/dbraw/zinc/90/77/49/530907749.db2.gz SIAJGUIFOLLRAR-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117371932 530912279 /nfs/dbraw/zinc/91/22/79/530912279.db2.gz FVWBGECMRUDTGI-CYBMUJFWSA-N 1 2 391.877 1.980 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117371932 530912285 /nfs/dbraw/zinc/91/22/85/530912285.db2.gz FVWBGECMRUDTGI-CYBMUJFWSA-N 1 2 391.877 1.980 20 5 GDBDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261952046 531103727 /nfs/dbraw/zinc/10/37/27/531103727.db2.gz GCMBELHVSXHOFV-GFCCVEGCSA-N 1 2 385.833 1.317 20 5 GDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000277785439 531312528 /nfs/dbraw/zinc/31/25/28/531312528.db2.gz FLSCMNZIKBJWTP-UHFFFAOYSA-N 1 2 384.230 1.952 20 5 GDBDLO COCCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266471744 531348186 /nfs/dbraw/zinc/34/81/86/531348186.db2.gz OAESCTQVFKALNL-UHFFFAOYSA-N 1 2 375.472 1.269 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000266782119 531369662 /nfs/dbraw/zinc/36/96/62/531369662.db2.gz XUROAUAAFQWWER-GFCCVEGCSA-N 1 2 384.483 1.701 20 5 GDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000533294973 531429975 /nfs/dbraw/zinc/42/99/75/531429975.db2.gz JDOCBDIKQPVAOO-QWRGUYRKSA-N 1 2 389.861 1.942 20 5 GDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000533294973 531429980 /nfs/dbraw/zinc/42/99/80/531429980.db2.gz JDOCBDIKQPVAOO-QWRGUYRKSA-N 1 2 389.861 1.942 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c(C(F)(F)F)c1 ZINC000269480958 531677588 /nfs/dbraw/zinc/67/75/88/531677588.db2.gz OSLNRIUJEFVAJW-UHFFFAOYSA-N 1 2 399.416 1.941 20 5 GDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000590542037 531689246 /nfs/dbraw/zinc/68/92/46/531689246.db2.gz XGVHSMYCSVYDIA-CQSZACIVSA-N 1 2 397.273 1.406 20 5 GDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000590542037 531689253 /nfs/dbraw/zinc/68/92/53/531689253.db2.gz XGVHSMYCSVYDIA-CQSZACIVSA-N 1 2 397.273 1.406 20 5 GDBDLO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cscn1 ZINC000569357531 531920282 /nfs/dbraw/zinc/92/02/82/531920282.db2.gz PYTKFIRPSFJYJO-GFCCVEGCSA-N 1 2 381.439 1.097 20 5 GDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000599160792 532009920 /nfs/dbraw/zinc/00/99/20/532009920.db2.gz OCJAYQMKKBYECQ-SNVBAGLBSA-N 1 2 377.182 1.942 20 5 GDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000599160792 532009926 /nfs/dbraw/zinc/00/99/26/532009926.db2.gz OCJAYQMKKBYECQ-SNVBAGLBSA-N 1 2 377.182 1.942 20 5 GDBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285940482 532121919 /nfs/dbraw/zinc/12/19/19/532121919.db2.gz JLRIKPQQHSDKDE-SNVBAGLBSA-N 1 2 395.840 1.465 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H](C)C1 ZINC000286269371 532139390 /nfs/dbraw/zinc/13/93/90/532139390.db2.gz DXZAVIPJDUZUGV-ZJUUUORDSA-N 1 2 395.840 1.463 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H](C)C1 ZINC000286269371 532139393 /nfs/dbraw/zinc/13/93/93/532139393.db2.gz DXZAVIPJDUZUGV-ZJUUUORDSA-N 1 2 395.840 1.463 20 5 GDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376218991 532199915 /nfs/dbraw/zinc/19/99/15/532199915.db2.gz MCZTWCLYCXPBRW-QWRGUYRKSA-N 1 2 399.245 1.688 20 5 GDBDLO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCN(C)CC1 ZINC000820274111 599518338 /nfs/dbraw/zinc/51/83/38/599518338.db2.gz DMEDWBCTNZGJNE-LBPRGKRZSA-N 1 2 397.443 1.371 20 5 GDBDLO O=[N+]([O-])c1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1-c1nn[nH]n1 ZINC000823634511 606646233 /nfs/dbraw/zinc/64/62/33/606646233.db2.gz IXPKQDDNDDWYAR-MRXNPFEDSA-N 1 2 391.457 1.395 20 5 GDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000823620932 606709592 /nfs/dbraw/zinc/70/95/92/606709592.db2.gz SYULFUCZGMODNE-HNNXBMFYSA-N 1 2 396.411 1.026 20 5 GDBDLO Cc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1[N+](=O)[O-] ZINC000826287965 608510685 /nfs/dbraw/zinc/51/06/85/608510685.db2.gz LAIWIBMSFKHXMU-UHFFFAOYSA-N 1 2 380.412 1.801 20 5 GDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000567861618 650924785 /nfs/dbraw/zinc/92/47/85/650924785.db2.gz IQYLXALVWOBIOP-SECBINFHSA-N 1 2 389.302 1.841 20 5 GDBDLO C[S@@](=O)CC[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000771147436 654530817 /nfs/dbraw/zinc/53/08/17/654530817.db2.gz QIHZVGIIAXYHHL-OAQYLSRUSA-N 1 2 376.276 1.858 20 5 GDBDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000772941987 654575536 /nfs/dbraw/zinc/57/55/36/654575536.db2.gz WQPAAJJIFUYXCI-UHFFFAOYSA-N 1 2 389.231 1.612 20 5 GDBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277788 654699207 /nfs/dbraw/zinc/69/92/07/654699207.db2.gz VUUSRTIRRIZKRH-VIFPVBQESA-N 1 2 389.231 1.921 20 5 GDBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830455669 654946052 /nfs/dbraw/zinc/94/60/52/654946052.db2.gz CTOBYZKKMINLAA-VIFPVBQESA-N 1 2 397.284 1.426 20 5 GDBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830455669 654946055 /nfs/dbraw/zinc/94/60/55/654946055.db2.gz CTOBYZKKMINLAA-VIFPVBQESA-N 1 2 397.284 1.426 20 5 GDBDLO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000808334684 655106819 /nfs/dbraw/zinc/10/68/19/655106819.db2.gz SGRXJRHYWBOWHD-UHFFFAOYSA-N 1 2 396.872 1.549 20 5 GDBDLO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000808334684 655106820 /nfs/dbraw/zinc/10/68/20/655106820.db2.gz SGRXJRHYWBOWHD-UHFFFAOYSA-N 1 2 396.872 1.549 20 5 GDBDLO CN(CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC[NH+](C)C ZINC000808334684 655106821 /nfs/dbraw/zinc/10/68/21/655106821.db2.gz SGRXJRHYWBOWHD-UHFFFAOYSA-N 1 2 396.872 1.549 20 5 GDBDLO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793591712 655120476 /nfs/dbraw/zinc/12/04/76/655120476.db2.gz RVRMLLQPOFSOTN-NSHDSACASA-N 1 2 387.849 1.521 20 5 GDBDLO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793591712 655120477 /nfs/dbraw/zinc/12/04/77/655120477.db2.gz RVRMLLQPOFSOTN-NSHDSACASA-N 1 2 387.849 1.521 20 5 GDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810349665 655155821 /nfs/dbraw/zinc/15/58/21/655155821.db2.gz VWJACVXSRILUSX-VIFPVBQESA-N 1 2 396.201 1.697 20 5 GDBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839504892 655249974 /nfs/dbraw/zinc/24/99/74/655249974.db2.gz MYUGNACPEPYEMV-SNVBAGLBSA-N 1 2 392.275 1.858 20 5 GDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839504892 655249976 /nfs/dbraw/zinc/24/99/76/655249976.db2.gz MYUGNACPEPYEMV-SNVBAGLBSA-N 1 2 392.275 1.858 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)CCC[NH+]1CCN(C)CC1 ZINC000866809048 655966071 /nfs/dbraw/zinc/96/60/71/655966071.db2.gz GEPMCSXYTLCDKT-UHFFFAOYSA-N 1 2 391.877 1.903 20 5 GDBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000898503846 658938285 /nfs/dbraw/zinc/93/82/85/658938285.db2.gz YCOBJMYYECEDOO-SECBINFHSA-N 1 2 375.198 1.916 20 5 GDBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000898503846 658938288 /nfs/dbraw/zinc/93/82/88/658938288.db2.gz YCOBJMYYECEDOO-SECBINFHSA-N 1 2 375.198 1.916 20 5 GDBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](CO)C1 ZINC000912743020 660051070 /nfs/dbraw/zinc/05/10/70/660051070.db2.gz NEIPHYZRFMUULJ-VIFPVBQESA-N 1 2 376.182 1.245 20 5 GDBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](CO)C1 ZINC000912743020 660051073 /nfs/dbraw/zinc/05/10/73/660051073.db2.gz NEIPHYZRFMUULJ-VIFPVBQESA-N 1 2 376.182 1.245 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001164699351 719840264 /nfs/dbraw/zinc/84/02/64/719840264.db2.gz HONFFYSJAICSQS-CXAGYDPISA-N 1 2 398.847 1.876 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C)c1[N+](=O)[O-] ZINC001164701567 719845865 /nfs/dbraw/zinc/84/58/65/719845865.db2.gz MJSGFDUPWAWQQD-RDTXWAMCSA-N 1 2 378.429 1.531 20 5 GDBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165007935 721694466 /nfs/dbraw/zinc/69/44/66/721694466.db2.gz HJENGAANRINGCK-UHFFFAOYSA-N 1 2 380.840 1.880 20 5 GDBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165007935 721694474 /nfs/dbraw/zinc/69/44/74/721694474.db2.gz HJENGAANRINGCK-UHFFFAOYSA-N 1 2 380.840 1.880 20 5 GDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000173183472 530625514 /nfs/dbraw/zinc/62/55/14/530625514.db2.gz BYRDSKXELRONFV-UHFFFAOYSA-N 1 2 392.275 1.992 20 5 GDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000038039553 530616994 /nfs/dbraw/zinc/61/69/94/530616994.db2.gz JULPKYAEZUKHRC-UHFFFAOYSA-N 1 2 378.248 1.684 20 5 GDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066575614 530763459 /nfs/dbraw/zinc/76/34/59/530763459.db2.gz LJIHOARUWZBYRM-UHFFFAOYSA-N 1 2 389.231 1.912 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000113329514 530889291 /nfs/dbraw/zinc/88/92/91/530889291.db2.gz ZASURAKZBTULSZ-UHFFFAOYSA-N 1 2 382.467 1.997 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000123214264 530981077 /nfs/dbraw/zinc/98/10/77/530981077.db2.gz PPLIIWMCOOKRSV-LLVKDONJSA-N 1 2 389.499 1.839 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000123214264 530981079 /nfs/dbraw/zinc/98/10/79/530981079.db2.gz PPLIIWMCOOKRSV-LLVKDONJSA-N 1 2 389.499 1.839 20 5 GDBDLO Cc1sc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000125714093 531009886 /nfs/dbraw/zinc/00/98/86/531009886.db2.gz HFZATZGDJJFSPN-UHFFFAOYSA-N 1 2 391.515 1.944 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000125923024 531012508 /nfs/dbraw/zinc/01/25/08/531012508.db2.gz UYVJTMKADIIHNU-IINYFYTJSA-N 1 2 377.850 1.554 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000125923024 531012511 /nfs/dbraw/zinc/01/25/11/531012511.db2.gz UYVJTMKADIIHNU-IINYFYTJSA-N 1 2 377.850 1.554 20 5 GDBDLO C[C@H](CO)Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266222734 531327857 /nfs/dbraw/zinc/32/78/57/531327857.db2.gz QXGIEYKMZBUAFM-LLVKDONJSA-N 1 2 375.472 1.004 20 5 GDBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCNC1=O ZINC000440968730 531351676 /nfs/dbraw/zinc/35/16/76/531351676.db2.gz WAUXELMJCQTFCG-GFCCVEGCSA-N 1 2 385.218 1.506 20 5 GDBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCNC1=O ZINC000440968730 531351678 /nfs/dbraw/zinc/35/16/78/531351678.db2.gz WAUXELMJCQTFCG-GFCCVEGCSA-N 1 2 385.218 1.506 20 5 GDBDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)S1 ZINC000266718169 531364327 /nfs/dbraw/zinc/36/43/27/531364327.db2.gz IWLIWAZECADODS-JTQLQIEISA-N 1 2 388.446 1.532 20 5 GDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446189373 531406680 /nfs/dbraw/zinc/40/66/80/531406680.db2.gz RGVNYJRTMNYHJL-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446189373 531406682 /nfs/dbraw/zinc/40/66/82/531406682.db2.gz RGVNYJRTMNYHJL-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO CO[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000449573168 531472214 /nfs/dbraw/zinc/47/22/14/531472214.db2.gz QXRUSPHELPXDSL-VXGBXAGGSA-N 1 2 378.166 1.391 20 5 GDBDLO CO[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000449573168 531472216 /nfs/dbraw/zinc/47/22/16/531472216.db2.gz QXRUSPHELPXDSL-VXGBXAGGSA-N 1 2 378.166 1.391 20 5 GDBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000451939257 531721315 /nfs/dbraw/zinc/72/13/15/531721315.db2.gz YZJLYWFQTGTCHX-NSHDSACASA-N 1 2 375.422 1.847 20 5 GDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000451939257 531721327 /nfs/dbraw/zinc/72/13/27/531721327.db2.gz YZJLYWFQTGTCHX-NSHDSACASA-N 1 2 375.422 1.847 20 5 GDBDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416669210 531734504 /nfs/dbraw/zinc/73/45/04/531734504.db2.gz RPHAFQMUQBLYMK-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416669210 531734509 /nfs/dbraw/zinc/73/45/09/531734509.db2.gz RPHAFQMUQBLYMK-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1F ZINC000285509506 532090484 /nfs/dbraw/zinc/09/04/84/532090484.db2.gz YEYXZILTODTXCE-UHFFFAOYSA-N 1 2 382.797 1.818 20 5 GDBDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000286353784 532144598 /nfs/dbraw/zinc/14/45/98/532144598.db2.gz JBVKXRXGAOOGCF-SECBINFHSA-N 1 2 381.813 1.074 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000289536467 532327085 /nfs/dbraw/zinc/32/70/85/532327085.db2.gz NVDQOOVQKYSKPS-RYUDHWBXSA-N 1 2 378.166 1.127 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000289536467 532327087 /nfs/dbraw/zinc/32/70/87/532327087.db2.gz NVDQOOVQKYSKPS-RYUDHWBXSA-N 1 2 378.166 1.127 20 5 GDBDLO Cc1[nH+]c(N2CCOCC2)ccc1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000822449528 607305875 /nfs/dbraw/zinc/30/58/75/607305875.db2.gz CNGQMVWGBYMBOU-UHFFFAOYSA-N 1 2 383.372 1.454 20 5 GDBDLO CNc1cc(N2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])nc[nH+]1 ZINC000736886716 598672671 /nfs/dbraw/zinc/67/26/71/598672671.db2.gz IYUDBNOUKJVRGW-GFCCVEGCSA-N 1 2 396.415 1.688 20 5 GDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000531031133 649985899 /nfs/dbraw/zinc/98/58/99/649985899.db2.gz SGORYXJOIMZWLZ-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000531031133 649985903 /nfs/dbraw/zinc/98/59/03/649985903.db2.gz SGORYXJOIMZWLZ-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO O=C(CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N1CCOCC1 ZINC000750616173 654857332 /nfs/dbraw/zinc/85/73/32/654857332.db2.gz ODLGSFQGGXWTQI-UHFFFAOYSA-N 1 2 398.257 1.964 20 5 GDBDLO O=C(CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N1CCOCC1 ZINC000750616173 654857334 /nfs/dbraw/zinc/85/73/34/654857334.db2.gz ODLGSFQGGXWTQI-UHFFFAOYSA-N 1 2 398.257 1.964 20 5 GDBDLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810344252 655155542 /nfs/dbraw/zinc/15/55/42/655155542.db2.gz MYQXDOKNIJQKOW-UHFFFAOYSA-N 1 2 396.201 1.699 20 5 GDBDLO CN(CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000857884382 655742865 /nfs/dbraw/zinc/74/28/65/655742865.db2.gz AMILDRMEKDIGRZ-LLVKDONJSA-N 1 2 394.229 1.731 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764744 656691245 /nfs/dbraw/zinc/69/12/45/656691245.db2.gz KUJNSJHVJSIHLH-PHIMTYICSA-N 1 2 392.193 1.232 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764744 656691246 /nfs/dbraw/zinc/69/12/46/656691246.db2.gz KUJNSJHVJSIHLH-PHIMTYICSA-N 1 2 392.193 1.232 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C)c1C ZINC001164697773 719857798 /nfs/dbraw/zinc/85/77/98/719857798.db2.gz ALFZYDNMPDMHMM-HNAYVOBHSA-N 1 2 392.456 1.839 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176629410 530687619 /nfs/dbraw/zinc/68/76/19/530687619.db2.gz ICSHWPUUBJQFED-UHFFFAOYSA-N 1 2 377.850 1.557 20 5 GDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000180094224 530757880 /nfs/dbraw/zinc/75/78/80/530757880.db2.gz HDYRFGRQZPAVAZ-LBPRGKRZSA-N 1 2 375.422 1.120 20 5 GDBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111219742 530872531 /nfs/dbraw/zinc/87/25/31/530872531.db2.gz SKBNSRRQWXHGBN-ZJUUUORDSA-N 1 2 399.245 1.882 20 5 GDBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000111219742 530872536 /nfs/dbraw/zinc/87/25/36/530872536.db2.gz SKBNSRRQWXHGBN-ZJUUUORDSA-N 1 2 399.245 1.882 20 5 GDBDLO Cc1sc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122957505 530978195 /nfs/dbraw/zinc/97/81/95/530978195.db2.gz VZVWTFJSAWCVIJ-GHMZBOCLSA-N 1 2 377.488 1.742 20 5 GDBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290330556 531224192 /nfs/dbraw/zinc/22/41/92/531224192.db2.gz AQPXXYQCLUJJAE-SECBINFHSA-N 1 2 397.284 1.426 20 5 GDBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290330556 531224196 /nfs/dbraw/zinc/22/41/96/531224196.db2.gz AQPXXYQCLUJJAE-SECBINFHSA-N 1 2 397.284 1.426 20 5 GDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446189372 531406823 /nfs/dbraw/zinc/40/68/23/531406823.db2.gz RGVNYJRTMNYHJL-LLVKDONJSA-N 1 2 386.246 1.737 20 5 GDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446189372 531406827 /nfs/dbraw/zinc/40/68/27/531406827.db2.gz RGVNYJRTMNYHJL-LLVKDONJSA-N 1 2 386.246 1.737 20 5 GDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269466152 531675500 /nfs/dbraw/zinc/67/55/00/531675500.db2.gz JGBJEYYDXLUSTG-UHFFFAOYSA-N 1 2 389.231 1.912 20 5 GDBDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416643513 531722266 /nfs/dbraw/zinc/72/22/66/531722266.db2.gz HKKLNVNWQCZCKM-UHFFFAOYSA-N 1 2 391.877 1.980 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000283659807 531883459 /nfs/dbraw/zinc/88/34/59/531883459.db2.gz ZBSMDIRLCFPIHY-ZJUUUORDSA-N 1 2 395.840 1.463 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000283659807 531883465 /nfs/dbraw/zinc/88/34/65/531883465.db2.gz ZBSMDIRLCFPIHY-ZJUUUORDSA-N 1 2 395.840 1.463 20 5 GDBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000271198355 531978991 /nfs/dbraw/zinc/97/89/91/531978991.db2.gz SEQPLPZLAABTND-UHFFFAOYSA-N 1 2 379.385 1.710 20 5 GDBDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602708688 532081903 /nfs/dbraw/zinc/08/19/03/532081903.db2.gz PQDIGCNDHHBMNJ-BDAKNGLRSA-N 1 2 385.261 1.320 20 5 GDBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H](C)C1 ZINC000286269352 532139558 /nfs/dbraw/zinc/13/95/58/532139558.db2.gz DXZAVIPJDUZUGV-NXEZZACHSA-N 1 2 395.840 1.463 20 5 GDBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H](C)C1 ZINC000286269352 532139562 /nfs/dbraw/zinc/13/95/62/532139562.db2.gz DXZAVIPJDUZUGV-NXEZZACHSA-N 1 2 395.840 1.463 20 5 GDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412333 532138006 /nfs/dbraw/zinc/13/80/06/532138006.db2.gz FMQIZVCTBVVZBE-LBPRGKRZSA-N 1 2 392.275 1.871 20 5 GDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425412333 532138009 /nfs/dbraw/zinc/13/80/09/532138009.db2.gz FMQIZVCTBVVZBE-LBPRGKRZSA-N 1 2 392.275 1.871 20 5 GDBDLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289554868 532327656 /nfs/dbraw/zinc/32/76/56/532327656.db2.gz DQVSHXPQVAUZSD-VIFPVBQESA-N 1 2 397.284 1.907 20 5 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CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000180094241 530757856 /nfs/dbraw/zinc/75/78/56/530757856.db2.gz HDYRFGRQZPAVAZ-GFCCVEGCSA-N 1 2 375.422 1.120 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000069868534 530799804 /nfs/dbraw/zinc/79/98/04/530799804.db2.gz KZUPEMKRGRDSOA-LBPRGKRZSA-N 1 2 375.472 1.389 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188801778 530902150 /nfs/dbraw/zinc/90/21/50/530902150.db2.gz SEGSOWBLDVDYEE-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188801778 530902152 /nfs/dbraw/zinc/90/21/52/530902152.db2.gz SEGSOWBLDVDYEE-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000122374167 530970918 /nfs/dbraw/zinc/97/09/18/530970918.db2.gz MCFUUDHLDDERMP-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO 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O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC000282845581 531800984 /nfs/dbraw/zinc/80/09/84/531800984.db2.gz RUSYAMGPFPZJNE-AWEZNQCLSA-N 1 2 397.229 1.809 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC000282845581 531800993 /nfs/dbraw/zinc/80/09/93/531800993.db2.gz RUSYAMGPFPZJNE-AWEZNQCLSA-N 1 2 397.229 1.809 20 5 GDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CCCCF)CC2)cc1[N+](=O)[O-] ZINC000285116363 532032820 /nfs/dbraw/zinc/03/28/20/532032820.db2.gz IENRIZLHEOFEQN-UHFFFAOYSA-N 1 2 375.422 1.659 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000599500655 532033076 /nfs/dbraw/zinc/03/30/76/532033076.db2.gz UBZGPJKRZJWTBH-UHFFFAOYSA-N 1 2 389.861 1.734 20 5 GDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425406425 532137531 /nfs/dbraw/zinc/13/75/31/532137531.db2.gz PFIUMMYLQMDMBM-UHFFFAOYSA-N 1 2 392.275 1.871 20 5 GDBDLO C[C@@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1C[N@H+](C)CCO1 ZINC000820451303 607306723 /nfs/dbraw/zinc/30/67/23/607306723.db2.gz UTUBJCDZMJQFOJ-MEBBXXQBSA-N 1 2 384.400 1.454 20 5 GDBDLO C[C@@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1C[N@@H+](C)CCO1 ZINC000820451303 607306724 /nfs/dbraw/zinc/30/67/24/607306724.db2.gz UTUBJCDZMJQFOJ-MEBBXXQBSA-N 1 2 384.400 1.454 20 5 GDBDLO CCn1ccnc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736723952 598501909 /nfs/dbraw/zinc/50/19/09/598501909.db2.gz ZAVPPCHYFAQFLO-UHFFFAOYSA-N 1 2 398.431 1.099 20 5 GDBDLO CCn1ccnc1C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736723952 598501910 /nfs/dbraw/zinc/50/19/10/598501910.db2.gz ZAVPPCHYFAQFLO-UHFFFAOYSA-N 1 2 398.431 1.099 20 5 GDBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229480 606417309 /nfs/dbraw/zinc/41/73/09/606417309.db2.gz VRLKWPZVGBVHHO-BDJLRTHQSA-N 1 2 381.396 1.961 20 5 GDBDLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000920017995 660263804 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KXENISSVWCBFMZ-LBPRGKRZSA-N 1 2 375.472 1.308 20 5 GDBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000807285422 655080795 /nfs/dbraw/zinc/08/07/95/655080795.db2.gz WBHXIUODORSCQL-SNVBAGLBSA-N 1 2 397.185 1.525 20 5 GDBDLO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009529 655277653 /nfs/dbraw/zinc/27/76/53/655277653.db2.gz KJORKFOPTXYOEF-SNVBAGLBSA-N 1 2 395.840 1.776 20 5 GDBDLO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009529 655277656 /nfs/dbraw/zinc/27/76/56/655277656.db2.gz KJORKFOPTXYOEF-SNVBAGLBSA-N 1 2 395.840 1.776 20 5 GDBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825791148 655493762 /nfs/dbraw/zinc/49/37/62/655493762.db2.gz AJXUKFWLQVSZMM-UHFFFAOYSA-N 1 2 387.234 1.547 20 5 GDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864880461 655907742 /nfs/dbraw/zinc/90/77/42/655907742.db2.gz XSNYZRHRTDYUPN-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO 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COc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000285481934 532087247 /nfs/dbraw/zinc/08/72/47/532087247.db2.gz CTZDXMRKLRFMPH-LBPRGKRZSA-N 1 2 375.422 1.598 20 5 GDBDLO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000603929483 532096841 /nfs/dbraw/zinc/09/68/41/532096841.db2.gz LUWIZIPHMAGYMK-UHFFFAOYSA-N 1 2 382.467 1.626 20 5 GDBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275722163 532307840 /nfs/dbraw/zinc/30/78/40/532307840.db2.gz WCYZBMBUSBKQRC-LLVKDONJSA-N 1 2 375.422 1.200 20 5 GDBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275722163 532307844 /nfs/dbraw/zinc/30/78/44/532307844.db2.gz WCYZBMBUSBKQRC-LLVKDONJSA-N 1 2 375.422 1.200 20 5 GDBDLO COc1ccccc1C[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821899206 606706592 /nfs/dbraw/zinc/70/65/92/606706592.db2.gz VWGWQNDUEIMBMV-UHFFFAOYSA-N 1 2 396.411 1.501 20 5 GDBDLO 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1 2 375.422 1.465 20 5 GDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000278844595 531394565 /nfs/dbraw/zinc/39/45/65/531394565.db2.gz WERLZKDLTUJZAJ-UHFFFAOYSA-N 1 2 375.422 1.465 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360444258 531439510 /nfs/dbraw/zinc/43/95/10/531439510.db2.gz DXVKOHUGSDYITJ-GXTWGEPZSA-N 1 2 389.861 1.468 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000590590658 531692702 /nfs/dbraw/zinc/69/27/02/531692702.db2.gz IKSXWLOLDWFLCY-NEPJUHHUSA-N 1 2 375.422 1.118 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000590590658 531692707 /nfs/dbraw/zinc/69/27/07/531692707.db2.gz IKSXWLOLDWFLCY-NEPJUHHUSA-N 1 2 375.422 1.118 20 5 GDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000456200442 531900821 /nfs/dbraw/zinc/90/08/21/531900821.db2.gz AFHVFNWCXMTKNF-TXEJJXNPSA-N 1 2 384.230 1.950 20 5 GDBDLO 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O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC000412107829 531358282 /nfs/dbraw/zinc/35/82/82/531358282.db2.gz RMXWITMWHQAUES-GWCFXTLKSA-N 1 2 392.193 1.375 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672384 531737293 /nfs/dbraw/zinc/73/72/93/531737293.db2.gz YPBXNQLXDICCSE-GHMZBOCLSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672384 531737302 /nfs/dbraw/zinc/73/73/02/531737302.db2.gz YPBXNQLXDICCSE-GHMZBOCLSA-N 1 2 391.877 1.632 20 5 GDBDLO CN(C)C(=O)CC[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270949651 531947673 /nfs/dbraw/zinc/94/76/73/531947673.db2.gz LRXQMRWTHFINQQ-UHFFFAOYSA-N 1 2 386.250 1.353 20 5 GDBDLO CN(C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)S(C)(=O)=O ZINC000285714469 532106697 /nfs/dbraw/zinc/10/66/97/532106697.db2.gz UATAPMWJNQKHKE-LLVKDONJSA-N 1 2 377.413 1.976 20 5 GDBDLO CN(C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)S(C)(=O)=O ZINC000285714469 532106702 /nfs/dbraw/zinc/10/67/02/532106702.db2.gz UATAPMWJNQKHKE-LLVKDONJSA-N 1 2 377.413 1.976 20 5 GDBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000378372331 532285770 /nfs/dbraw/zinc/28/57/70/532285770.db2.gz QZZUHCOUJFYHRO-AWEZNQCLSA-N 1 2 382.467 1.842 20 5 GDBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000378372331 532285774 /nfs/dbraw/zinc/28/57/74/532285774.db2.gz QZZUHCOUJFYHRO-AWEZNQCLSA-N 1 2 382.467 1.842 20 5 GDBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)S1 ZINC000276130130 532320360 /nfs/dbraw/zinc/32/03/60/532320360.db2.gz AZTMJHIDOUJCMW-NSHDSACASA-N 1 2 384.483 1.612 20 5 GDBDLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737515424 600592868 /nfs/dbraw/zinc/59/28/68/600592868.db2.gz VHSBPRGYZBHFBY-UHFFFAOYSA-N 1 2 378.429 1.391 20 5 GDBDLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737515424 600592869 /nfs/dbraw/zinc/59/28/69/600592869.db2.gz VHSBPRGYZBHFBY-UHFFFAOYSA-N 1 2 378.429 1.391 20 5 GDBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229481 606417266 /nfs/dbraw/zinc/41/72/66/606417266.db2.gz VRLKWPZVGBVHHO-BZNIZROVSA-N 1 2 381.396 1.961 20 5 GDBDLO Cc1cc(N2CCC[C@@H](Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000822207303 606709023 /nfs/dbraw/zinc/70/90/23/606709023.db2.gz RBKJDPCCEHQXFQ-GFCCVEGCSA-N 1 2 396.415 1.658 20 5 GDBDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000194339750 645060259 /nfs/dbraw/zinc/06/02/59/645060259.db2.gz LALBWGBLDXMEMZ-RYUDHWBXSA-N 1 2 375.422 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000367559370 645603307 /nfs/dbraw/zinc/60/33/07/645603307.db2.gz LHJRZTAGMZTWLQ-ONGXEEELSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000367559370 645603310 /nfs/dbraw/zinc/60/33/10/645603310.db2.gz LHJRZTAGMZTWLQ-ONGXEEELSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000367559369 645603318 /nfs/dbraw/zinc/60/33/18/645603318.db2.gz LHJRZTAGMZTWLQ-MWLCHTKSSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000367559369 645603320 /nfs/dbraw/zinc/60/33/20/645603320.db2.gz LHJRZTAGMZTWLQ-MWLCHTKSSA-N 1 2 393.824 1.529 20 5 GDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486631005 647939329 /nfs/dbraw/zinc/93/93/29/647939329.db2.gz QAEZGYGHBUBNEZ-AWEZNQCLSA-N 1 2 375.422 1.703 20 5 GDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486631005 647939331 /nfs/dbraw/zinc/93/93/31/647939331.db2.gz QAEZGYGHBUBNEZ-AWEZNQCLSA-N 1 2 375.422 1.703 20 5 GDBDLO CN(C)Cc1cnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000511907361 648390412 /nfs/dbraw/zinc/39/04/12/648390412.db2.gz LMMFIVQLTHFCBP-UHFFFAOYSA-N 1 2 384.483 1.676 20 5 GDBDLO C[N@H+](CC(F)F)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000749287138 654827009 /nfs/dbraw/zinc/82/70/09/654827009.db2.gz CIUVXXDQZJLBNX-UHFFFAOYSA-N 1 2 378.401 1.408 20 5 GDBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000749287138 654827013 /nfs/dbraw/zinc/82/70/13/654827013.db2.gz CIUVXXDQZJLBNX-UHFFFAOYSA-N 1 2 378.401 1.408 20 5 GDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842881086 655382326 /nfs/dbraw/zinc/38/23/26/655382326.db2.gz ISJRAGJXIBDRBF-LBPRGKRZSA-N 1 2 396.238 1.679 20 5 GDBDLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164642691 719268424 /nfs/dbraw/zinc/26/84/24/719268424.db2.gz YHGAZGZFXCZQIK-UHFFFAOYSA-N 1 2 397.863 1.403 20 5 GDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164642691 719268428 /nfs/dbraw/zinc/26/84/28/719268428.db2.gz YHGAZGZFXCZQIK-UHFFFAOYSA-N 1 2 397.863 1.403 20 5 GDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1C ZINC001164706694 719839802 /nfs/dbraw/zinc/83/98/02/719839802.db2.gz YJDYRVCZMUGJCK-KDOFPFPSSA-N 1 2 378.429 1.531 20 5 GDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C)c1[N+](=O)[O-] ZINC001164701560 719845843 /nfs/dbraw/zinc/84/58/43/719845843.db2.gz MJSGFDUPWAWQQD-KSSFIOAISA-N 1 2 378.429 1.531 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182445727 530799716 /nfs/dbraw/zinc/79/97/16/530799716.db2.gz CWYWSRVPLFQPBE-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188807358 530902060 /nfs/dbraw/zinc/90/20/60/530902060.db2.gz MHPSHEATHCVHAL-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188807358 530902062 /nfs/dbraw/zinc/90/20/62/530902062.db2.gz MHPSHEATHCVHAL-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117372662 530912782 /nfs/dbraw/zinc/91/27/82/530912782.db2.gz ZTNSNJDTIBDLSF-GFCCVEGCSA-N 1 2 391.877 1.980 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117372662 530912786 /nfs/dbraw/zinc/91/27/86/530912786.db2.gz ZTNSNJDTIBDLSF-GFCCVEGCSA-N 1 2 391.877 1.980 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(Br)ccc3C2)c1 ZINC000192256567 530965602 /nfs/dbraw/zinc/96/56/02/530965602.db2.gz BMIPVLNPJUSEAI-HNNXBMFYSA-N 1 2 381.230 1.973 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(Br)ccc3C2)c1 ZINC000192256567 530965605 /nfs/dbraw/zinc/96/56/05/530965605.db2.gz BMIPVLNPJUSEAI-HNNXBMFYSA-N 1 2 381.230 1.973 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000125922769 531012670 /nfs/dbraw/zinc/01/26/70/531012670.db2.gz UYVJTMKADIIHNU-YGRLFVJLSA-N 1 2 377.850 1.554 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000125922769 531012673 /nfs/dbraw/zinc/01/26/73/531012673.db2.gz UYVJTMKADIIHNU-YGRLFVJLSA-N 1 2 377.850 1.554 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249472826 531087146 /nfs/dbraw/zinc/08/71/46/531087146.db2.gz SJDGIVYKUZCEQI-JTQLQIEISA-N 1 2 377.850 1.244 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249472826 531087149 /nfs/dbraw/zinc/08/71/49/531087149.db2.gz SJDGIVYKUZCEQI-JTQLQIEISA-N 1 2 377.850 1.244 20 5 GDBDLO C[C@@H]1C[N@H+](CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCO1 ZINC000277788986 531312350 /nfs/dbraw/zinc/31/23/50/531312350.db2.gz XBYABRKOBHAKHW-LLVKDONJSA-N 1 2 377.488 1.973 20 5 GDBDLO C[C@@H]1C[N@@H+](CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCO1 ZINC000277788986 531312356 /nfs/dbraw/zinc/31/23/56/531312356.db2.gz XBYABRKOBHAKHW-LLVKDONJSA-N 1 2 377.488 1.973 20 5 GDBDLO Cc1sc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000451737287 531673896 /nfs/dbraw/zinc/67/38/96/531673896.db2.gz GPYFFFWJVRFGPO-LBPRGKRZSA-N 1 2 388.471 1.736 20 5 GDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CC(F)(F)C3)CC2)c1 ZINC000296282498 531678381 /nfs/dbraw/zinc/67/83/81/531678381.db2.gz HIJVGBKBXANLIJ-UHFFFAOYSA-N 1 2 375.397 1.946 20 5 GDBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269960745 531814140 /nfs/dbraw/zinc/81/41/40/531814140.db2.gz JAIVTJLIKWUOSR-NSHDSACASA-N 1 2 386.250 1.725 20 5 GDBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269960745 531814148 /nfs/dbraw/zinc/81/41/48/531814148.db2.gz JAIVTJLIKWUOSR-NSHDSACASA-N 1 2 386.250 1.725 20 5 GDBDLO CC(=O)N1CC[NH+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599067134 532003544 /nfs/dbraw/zinc/00/35/44/532003544.db2.gz BFYXSUBGKIVOFD-UHFFFAOYSA-N 1 2 399.245 1.251 20 5 GDBDLO O=[N+]([O-])c1c(NCCS(=O)(=O)N2CCSCC2)ccc2c[nH+]ccc21 ZINC000599044153 532003967 /nfs/dbraw/zinc/00/39/67/532003967.db2.gz WVGAHIPYPGAPOQ-UHFFFAOYSA-N 1 2 382.467 1.934 20 5 GDBDLO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000271737421 532047627 /nfs/dbraw/zinc/04/76/27/532047627.db2.gz VMPIJQMWEHNADW-SNVBAGLBSA-N 1 2 387.234 1.826 20 5 GDBDLO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000271737421 532047633 /nfs/dbraw/zinc/04/76/33/532047633.db2.gz VMPIJQMWEHNADW-SNVBAGLBSA-N 1 2 387.234 1.826 20 5 GDBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602708689 532081423 /nfs/dbraw/zinc/08/14/23/532081423.db2.gz PQDIGCNDHHBMNJ-DTWKUNHWSA-N 1 2 385.261 1.320 20 5 GDBDLO CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425383928 532136585 /nfs/dbraw/zinc/13/65/85/532136585.db2.gz LFEZQGRJDRXVHH-UHFFFAOYSA-N 1 2 385.262 1.611 20 5 GDBDLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)nn1 ZINC000359973541 206275581 /nfs/dbraw/zinc/27/55/81/206275581.db2.gz 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CC1CC[NH+](C[C@@H](O)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301928152 645237092 /nfs/dbraw/zinc/23/70/92/645237092.db2.gz ISNMQHSRRHUZPV-NSHDSACASA-N 1 2 377.488 1.565 20 5 GDBDLO C[N@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000503261376 648184769 /nfs/dbraw/zinc/18/47/69/648184769.db2.gz NJMNGCZOUAOXHR-UHFFFAOYSA-N 1 2 376.207 1.237 20 5 GDBDLO C[N@@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000503261376 648184773 /nfs/dbraw/zinc/18/47/73/648184773.db2.gz NJMNGCZOUAOXHR-UHFFFAOYSA-N 1 2 376.207 1.237 20 5 GDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)n1 ZINC000599107161 652478525 /nfs/dbraw/zinc/47/85/25/652478525.db2.gz KUBLCPDWWRVZBJ-GFCCVEGCSA-N 1 2 385.833 1.317 20 5 GDBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH+](CCO)CC1 ZINC000755138687 654986727 /nfs/dbraw/zinc/98/67/27/654986727.db2.gz HICUHXNOYYTPSV-UHFFFAOYSA-N 1 2 376.182 1.247 20 5 GDBDLO CN1C(=O)NC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)C1=O ZINC000839530910 655251595 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Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008458 721708176 /nfs/dbraw/zinc/70/81/76/721708176.db2.gz FLIUQFVDJGWUGB-UHFFFAOYSA-N 1 2 375.433 1.379 20 5 GDBDLO O=[N+]([O-])c1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911113 721773374 /nfs/dbraw/zinc/77/33/74/721773374.db2.gz FCWZOSVVOOLOJD-LJQANCHMSA-N 1 2 385.424 1.493 20 5 GDBDLO O=[N+]([O-])c1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911113 721773375 /nfs/dbraw/zinc/77/33/75/721773375.db2.gz FCWZOSVVOOLOJD-LJQANCHMSA-N 1 2 385.424 1.493 20 5 GDBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164942542 721969192 /nfs/dbraw/zinc/96/91/92/721969192.db2.gz CVGGSSAGHAPVBO-UHFFFAOYSA-N 1 2 381.436 1.961 20 5 GDBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164942542 721969197 /nfs/dbraw/zinc/96/91/97/721969197.db2.gz CVGGSSAGHAPVBO-UHFFFAOYSA-N 1 2 381.436 1.961 20 5 GDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498382 948413120 /nfs/dbraw/zinc/41/31/20/948413120.db2.gz SFUYEQJNICDPDY-QZTJIDSGSA-N 1 2 396.407 1.882 20 5 GDBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000037253223 530615350 /nfs/dbraw/zinc/61/53/50/530615350.db2.gz OUWTXUICRVCIJC-UHFFFAOYSA-N 1 2 375.166 1.587 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000173542250 530632350 /nfs/dbraw/zinc/63/23/50/530632350.db2.gz SERMRPZXBMCVLQ-LBPRGKRZSA-N 1 2 389.861 1.591 20 5 GDBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000180301401 530763655 /nfs/dbraw/zinc/76/36/55/530763655.db2.gz ROLGPEOURYWWDE-LLVKDONJSA-N 1 2 377.850 1.325 20 5 GDBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182404398 530798365 /nfs/dbraw/zinc/79/83/65/530798365.db2.gz ZOZVVCLUWLIDPY-LBPRGKRZSA-N 1 2 377.850 1.325 20 5 GDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000182919955 530806986 /nfs/dbraw/zinc/80/69/86/530806986.db2.gz HLSYNPMDGUJAEE-LLVKDONJSA-N 1 2 375.422 1.289 20 5 GDBDLO Cc1c(Br)cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188798563 530901394 /nfs/dbraw/zinc/90/13/94/530901394.db2.gz STSLDVVQFLJPQS-SNVBAGLBSA-N 1 2 386.246 1.804 20 5 GDBDLO Cc1c(Br)cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188798563 530901396 /nfs/dbraw/zinc/90/13/96/530901396.db2.gz STSLDVVQFLJPQS-SNVBAGLBSA-N 1 2 386.246 1.804 20 5 GDBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000188313760 530892067 /nfs/dbraw/zinc/89/20/67/530892067.db2.gz IHXMPEBROPAPTI-NSHDSACASA-N 1 2 375.422 1.200 20 5 GDBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000188313760 530892070 /nfs/dbraw/zinc/89/20/70/530892070.db2.gz IHXMPEBROPAPTI-NSHDSACASA-N 1 2 375.422 1.200 20 5 GDBDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000145616765 531125386 /nfs/dbraw/zinc/12/53/86/531125386.db2.gz BKUZZKBPBSHZSV-GFCCVEGCSA-N 1 2 391.877 1.883 20 5 GDBDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000145616765 531125389 /nfs/dbraw/zinc/12/53/89/531125389.db2.gz BKUZZKBPBSHZSV-GFCCVEGCSA-N 1 2 391.877 1.883 20 5 GDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560172525 531627339 /nfs/dbraw/zinc/62/73/39/531627339.db2.gz RTBVPHYLMNATIC-SECBINFHSA-N 1 2 396.201 1.697 20 5 GDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000296191584 531667609 /nfs/dbraw/zinc/66/76/09/531667609.db2.gz BLSYSDJJDRDUBG-UHFFFAOYSA-N 1 2 375.397 1.946 20 5 GDBDLO Cc1sc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000451737286 531674457 /nfs/dbraw/zinc/67/44/57/531674457.db2.gz GPYFFFWJVRFGPO-GFCCVEGCSA-N 1 2 388.471 1.736 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000451885924 531702653 /nfs/dbraw/zinc/70/26/53/531702653.db2.gz CCTVKDJTQNHODI-PHIMTYICSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000451885924 531702658 /nfs/dbraw/zinc/70/26/58/531702658.db2.gz CCTVKDJTQNHODI-PHIMTYICSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672386 531737590 /nfs/dbraw/zinc/73/75/90/531737590.db2.gz YPBXNQLXDICCSE-MNOVXSKESA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672386 531737600 /nfs/dbraw/zinc/73/76/00/531737600.db2.gz YPBXNQLXDICCSE-MNOVXSKESA-N 1 2 391.877 1.632 20 5 GDBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000367976064 531882654 /nfs/dbraw/zinc/88/26/54/531882654.db2.gz HMQJWVJZMGWOLT-UHFFFAOYSA-N 1 2 394.185 1.535 20 5 GDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000275438057 532295296 /nfs/dbraw/zinc/29/52/96/532295296.db2.gz LXRQQHUHQQZPRR-SECBINFHSA-N 1 2 390.209 1.635 20 5 GDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000109472007 206257348 /nfs/dbraw/zinc/25/73/48/206257348.db2.gz PBXGZXVZSJGVJE-UHFFFAOYSA-N 1 2 384.458 1.198 20 5 GDBDLO C[C@@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[N@H+](C)CCO1 ZINC000820451299 607306750 /nfs/dbraw/zinc/30/67/50/607306750.db2.gz UTUBJCDZMJQFOJ-BMIGLBTASA-N 1 2 384.400 1.454 20 5 GDBDLO C[C@@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000820451299 607306751 /nfs/dbraw/zinc/30/67/51/607306751.db2.gz UTUBJCDZMJQFOJ-BMIGLBTASA-N 1 2 384.400 1.454 20 5 GDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000823619879 607163011 /nfs/dbraw/zinc/16/30/11/607163011.db2.gz CMGUGIWFTGVKCD-UHFFFAOYSA-N 1 2 388.432 1.617 20 5 GDBDLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000920011169 660263495 /nfs/dbraw/zinc/26/34/95/660263495.db2.gz TXHNLDNINRWSHB-GXFFZTMASA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000920011169 660263496 /nfs/dbraw/zinc/26/34/96/660263496.db2.gz TXHNLDNINRWSHB-GXFFZTMASA-N 1 2 376.866 1.161 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c([N+](=O)[O-])s1 ZINC000921321856 660288066 /nfs/dbraw/zinc/28/80/66/660288066.db2.gz KSCYIJTUEKXZLD-MNOVXSKESA-N 1 2 377.513 1.823 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c([N+](=O)[O-])s1 ZINC000921321856 660288069 /nfs/dbraw/zinc/28/80/69/660288069.db2.gz KSCYIJTUEKXZLD-MNOVXSKESA-N 1 2 377.513 1.823 20 5 GDBDLO CN(C)S(=O)(=O)c1ccc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000573087167 651467588 /nfs/dbraw/zinc/46/75/88/651467588.db2.gz VNMXRVYQWNFLSU-NSHDSACASA-N 1 2 375.472 1.268 20 5 GDBDLO CN(C)S(=O)(=O)c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000573087167 651467589 /nfs/dbraw/zinc/46/75/89/651467589.db2.gz VNMXRVYQWNFLSU-NSHDSACASA-N 1 2 375.472 1.268 20 5 GDBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837189772 655169893 /nfs/dbraw/zinc/16/98/93/655169893.db2.gz MFBQVUQGFZLNNL-SECBINFHSA-N 1 2 390.209 1.635 20 5 GDBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837189772 655169897 /nfs/dbraw/zinc/16/98/97/655169897.db2.gz MFBQVUQGFZLNNL-SECBINFHSA-N 1 2 390.209 1.635 20 5 GDBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837189776 655169984 /nfs/dbraw/zinc/16/99/84/655169984.db2.gz MFBQVUQGFZLNNL-VIFPVBQESA-N 1 2 390.209 1.635 20 5 GDBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837189776 655169985 /nfs/dbraw/zinc/16/99/85/655169985.db2.gz MFBQVUQGFZLNNL-VIFPVBQESA-N 1 2 390.209 1.635 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000815007020 655277395 /nfs/dbraw/zinc/27/73/95/655277395.db2.gz MVNPRDBPMXSREB-UWVGGRQHSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000815007020 655277396 /nfs/dbraw/zinc/27/73/96/655277396.db2.gz MVNPRDBPMXSREB-UWVGGRQHSA-N 1 2 393.824 1.529 20 5 GDBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859309834 655775063 /nfs/dbraw/zinc/77/50/63/655775063.db2.gz DVVASSDBIJPWTR-UHFFFAOYSA-N 1 2 389.861 1.487 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC001164705272 719849316 /nfs/dbraw/zinc/84/93/16/719849316.db2.gz UQEAMTBBEHMOBW-SJKOYZFVSA-N 1 2 382.392 1.362 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001164699307 719850071 /nfs/dbraw/zinc/85/00/71/719850071.db2.gz HDDUVZRSKYNBMT-SUMWQHHRSA-N 1 2 398.847 1.876 20 5 GDBDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164913310 721769160 /nfs/dbraw/zinc/76/91/60/721769160.db2.gz WCXYOOPBRPBHIF-FQEVSTJZSA-N 1 2 399.451 1.801 20 5 GDBDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164913310 721769163 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C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574624921 651554085 /nfs/dbraw/zinc/55/40/85/651554085.db2.gz UFDDTOGDBHRVCX-VIFPVBQESA-N 1 2 385.218 1.458 20 5 GDBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574624921 651554093 /nfs/dbraw/zinc/55/40/93/651554093.db2.gz UFDDTOGDBHRVCX-VIFPVBQESA-N 1 2 385.218 1.458 20 5 GDBDLO C[S@](=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000769481787 654467027 /nfs/dbraw/zinc/46/70/27/654467027.db2.gz VOBTVCOWJXJEKC-VWLOTQADSA-N 1 2 377.413 1.692 20 5 GDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277786 654699230 /nfs/dbraw/zinc/69/92/30/654699230.db2.gz VUUSRTIRRIZKRH-SECBINFHSA-N 1 2 389.231 1.921 20 5 GDBDLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000746472304 654762239 /nfs/dbraw/zinc/76/22/39/654762239.db2.gz DFYSKUMEBCVGIC-VWLOTQADSA-N 1 2 388.877 1.183 20 5 GDBDLO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCN(S(C)(=O)=O)C1 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1.644 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1Br ZINC000289695781 532330933 /nfs/dbraw/zinc/33/09/33/532330933.db2.gz VZBDEJCVEHTUTC-UHFFFAOYSA-N 1 2 387.215 1.758 20 5 GDBDLO Cc1nc(C[N@@H+]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)oc1C ZINC000822440668 606708774 /nfs/dbraw/zinc/70/87/74/606708774.db2.gz OLQSSSLNGVEJDD-UHFFFAOYSA-N 1 2 399.415 1.487 20 5 GDBDLO Cc1nc(C[N@H+]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)oc1C ZINC000822440668 606708775 /nfs/dbraw/zinc/70/87/75/606708775.db2.gz OLQSSSLNGVEJDD-UHFFFAOYSA-N 1 2 399.415 1.487 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(F)c1 ZINC000921323262 660289761 /nfs/dbraw/zinc/28/97/61/660289761.db2.gz FIFAXNZIMAUVFB-QWHCGFSZSA-N 1 2 375.447 1.592 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(F)c1 ZINC000921323262 660289762 /nfs/dbraw/zinc/28/97/62/660289762.db2.gz FIFAXNZIMAUVFB-QWHCGFSZSA-N 1 2 375.447 1.592 20 5 GDBDLO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000572928660 651462955 /nfs/dbraw/zinc/46/29/55/651462955.db2.gz DGHJZQXSNIDMBR-LBPRGKRZSA-N 1 2 384.241 1.247 20 5 GDBDLO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000572928660 651462957 /nfs/dbraw/zinc/46/29/57/651462957.db2.gz DGHJZQXSNIDMBR-LBPRGKRZSA-N 1 2 384.241 1.247 20 5 GDBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000813257074 655234301 /nfs/dbraw/zinc/23/43/01/655234301.db2.gz OTNORWQFWRYGNF-UHFFFAOYSA-N 1 2 386.149 1.863 20 5 GDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000865092824 655912070 /nfs/dbraw/zinc/91/20/70/655912070.db2.gz ZVALFGMSWUKKCL-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000865092824 655912071 /nfs/dbraw/zinc/91/20/71/655912071.db2.gz ZVALFGMSWUKKCL-NSHDSACASA-N 1 2 386.246 1.737 20 5 GDBDLO O=[N+]([O-])c1ccc(Br)c(Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000900595753 659125290 /nfs/dbraw/zinc/12/52/90/659125290.db2.gz NYPWTIIRLBPPCS-UHFFFAOYSA-N 1 2 396.245 1.872 20 5 GDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001164696665 719839966 /nfs/dbraw/zinc/83/99/66/719839966.db2.gz ATRFTKCLTOSXCX-SJCJKPOMSA-N 1 2 398.847 1.876 20 5 GDBDLO COc1cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000826179427 947556724 /nfs/dbraw/zinc/55/67/24/947556724.db2.gz NYZYRFHHUGOCPE-UHFFFAOYSA-N 1 2 396.411 1.501 20 5 GDBDLO C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528956 992754517 /nfs/dbraw/zinc/75/45/17/992754517.db2.gz QVRMRJNRVKALQU-ICSRJNTNSA-N 1 2 387.436 1.977 20 5 GDBDLO C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528956 992754526 /nfs/dbraw/zinc/75/45/26/992754526.db2.gz QVRMRJNRVKALQU-ICSRJNTNSA-N 1 2 387.436 1.977 20 5 GDBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000176701830 530689446 /nfs/dbraw/zinc/68/94/46/530689446.db2.gz QKMIVIDQGKOIFJ-UHFFFAOYSA-N 1 2 391.877 1.899 20 5 GDBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000182538655 530801449 /nfs/dbraw/zinc/80/14/49/530801449.db2.gz YHLNYNYZFNSOLZ-GFCCVEGCSA-N 1 2 391.877 1.634 20 5 GDBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000111345937 530873956 /nfs/dbraw/zinc/87/39/56/530873956.db2.gz VSLGCZKYNLAKDE-UHFFFAOYSA-N 1 2 377.850 1.591 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188801655 530902115 /nfs/dbraw/zinc/90/21/15/530902115.db2.gz IEZJTLRPUKGJMQ-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188801655 530902118 /nfs/dbraw/zinc/90/21/18/530902118.db2.gz IEZJTLRPUKGJMQ-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261743448 531097936 /nfs/dbraw/zinc/09/79/36/531097936.db2.gz PLMYIUVOGVIERL-CQSZACIVSA-N 1 2 382.829 1.978 20 5 GDBDLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000264605182 531193236 /nfs/dbraw/zinc/19/32/36/531193236.db2.gz GCLOWRXJPURAMZ-UHFFFAOYSA-N 1 2 390.849 1.200 20 5 GDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000411911750 531346170 /nfs/dbraw/zinc/34/61/70/531346170.db2.gz OANXOZXJQXLUGP-STQMWFEESA-N 1 2 392.193 1.781 20 5 GDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000411911750 531346178 /nfs/dbraw/zinc/34/61/78/531346178.db2.gz OANXOZXJQXLUGP-STQMWFEESA-N 1 2 392.193 1.781 20 5 GDBDLO Cc1ccc(S(=O)(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1[N+](=O)[O-] ZINC000266723918 531365301 /nfs/dbraw/zinc/36/53/01/531365301.db2.gz KBQLZHKAWUODJG-LBPRGKRZSA-N 1 2 384.483 1.701 20 5 GDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000599205686 532011070 /nfs/dbraw/zinc/01/10/70/532011070.db2.gz ZLCFGBPUDOMHJS-NSHDSACASA-N 1 2 385.471 1.505 20 5 GDBDLO Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302673430 532049050 /nfs/dbraw/zinc/04/90/50/532049050.db2.gz LMYDHAWGFOHXLJ-LBPRGKRZSA-N 1 2 388.262 1.795 20 5 GDBDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000425208661 532128125 /nfs/dbraw/zinc/12/81/25/532128125.db2.gz SMZOEEWBJQKVIP-UHFFFAOYSA-N 1 2 375.422 1.465 20 5 GDBDLO CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000431658511 532272701 /nfs/dbraw/zinc/27/27/01/532272701.db2.gz HIKYLDIWIIYYIN-LBPRGKRZSA-N 1 2 385.471 1.755 20 5 GDBDLO CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000431658510 532273140 /nfs/dbraw/zinc/27/31/40/532273140.db2.gz HIKYLDIWIIYYIN-GFCCVEGCSA-N 1 2 385.471 1.755 20 5 GDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000823625119 606700895 /nfs/dbraw/zinc/70/08/95/606700895.db2.gz PMUNSPLQHNMBIQ-UHFFFAOYSA-N 1 2 396.411 1.614 20 5 GDBDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)o1 ZINC000822389340 607174895 /nfs/dbraw/zinc/17/48/95/607174895.db2.gz SOIDRCCBZGYSKX-NSHDSACASA-N 1 2 385.388 1.177 20 5 GDBDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)o1 ZINC000822389340 607174896 /nfs/dbraw/zinc/17/48/96/607174896.db2.gz SOIDRCCBZGYSKX-NSHDSACASA-N 1 2 385.388 1.177 20 5 GDBDLO CN1CC[NH+](CCCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000106888938 644614408 /nfs/dbraw/zinc/61/44/08/644614408.db2.gz ARNALLHOMNQKHC-UHFFFAOYSA-N 1 2 390.893 1.554 20 5 GDBDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000194339764 645060454 /nfs/dbraw/zinc/06/04/54/645060454.db2.gz LALBWGBLDXMEMZ-VXGBXAGGSA-N 1 2 375.422 1.512 20 5 GDBDLO Cc1c(Cl)c(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1C ZINC000421320018 646005655 /nfs/dbraw/zinc/00/56/55/646005655.db2.gz BOBFIJVAPULITL-UHFFFAOYSA-N 1 2 387.849 1.358 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000601460742 652585214 /nfs/dbraw/zinc/58/52/14/652585214.db2.gz LNIXFJQURCXWOA-CYBMUJFWSA-N 1 2 389.499 1.840 20 5 GDBDLO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000799792197 655301121 /nfs/dbraw/zinc/30/11/21/655301121.db2.gz HWPKRDXSKSUMDM-UHFFFAOYSA-N 1 2 378.248 1.650 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858868193 655754254 /nfs/dbraw/zinc/75/42/54/655754254.db2.gz WIEPVFPURKUWGY-VIFPVBQESA-N 1 2 383.348 1.367 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858868193 655754256 /nfs/dbraw/zinc/75/42/56/655754256.db2.gz WIEPVFPURKUWGY-VIFPVBQESA-N 1 2 383.348 1.367 20 5 GDBDLO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000865816622 655927674 /nfs/dbraw/zinc/92/76/74/655927674.db2.gz NJCUSCOJNJBXKR-LBPRGKRZSA-N 1 2 399.289 1.652 20 5 GDBDLO Cc1cc(OS(=O)(=O)CCC[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000867125165 655999107 /nfs/dbraw/zinc/99/91/07/655999107.db2.gz UBNXNYUSSIMULQ-UHFFFAOYSA-N 1 2 375.422 1.388 20 5 GDBDLO CN1CC[NH+](CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000867345654 656042234 /nfs/dbraw/zinc/04/22/34/656042234.db2.gz SPMVOUCPGPHTHG-UHFFFAOYSA-N 1 2 379.385 1.219 20 5 GDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498384 948413472 /nfs/dbraw/zinc/41/34/72/948413472.db2.gz SFUYEQJNICDPDY-ZWKOTPCHSA-N 1 2 396.407 1.882 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000187966283 530881371 /nfs/dbraw/zinc/88/13/71/530881371.db2.gz IYZNAEPXDVFSNR-JTQLQIEISA-N 1 2 377.850 1.244 20 5 GDBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188311077 530890905 /nfs/dbraw/zinc/89/09/05/530890905.db2.gz TYRDYFOXOOFVHE-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188311077 530890907 /nfs/dbraw/zinc/89/09/07/530890907.db2.gz TYRDYFOXOOFVHE-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000123263319 530981339 /nfs/dbraw/zinc/98/13/39/530981339.db2.gz YAJWIEOZOUTZSI-LBPRGKRZSA-N 1 2 391.877 1.634 20 5 GDBDLO CS(=O)(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000123506088 530984452 /nfs/dbraw/zinc/98/44/52/530984452.db2.gz MNWHCLKCAJUTJX-UHFFFAOYSA-N 1 2 379.385 1.710 20 5 GDBDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000194022074 530998494 /nfs/dbraw/zinc/99/84/94/530998494.db2.gz QPOKELCJQUQCKF-TXEJJXNPSA-N 1 2 375.422 1.464 20 5 GDBDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000194022074 530998497 /nfs/dbraw/zinc/99/84/97/530998497.db2.gz QPOKELCJQUQCKF-TXEJJXNPSA-N 1 2 375.422 1.464 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261775522 531098647 /nfs/dbraw/zinc/09/86/47/531098647.db2.gz SQIXJECYNCEOFG-AWEZNQCLSA-N 1 2 382.829 1.978 20 5 GDBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262095448 531107647 /nfs/dbraw/zinc/10/76/47/531107647.db2.gz VCRVJQXNJKFJSS-LBPRGKRZSA-N 1 2 385.833 1.317 20 5 GDBDLO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000137523181 531118034 /nfs/dbraw/zinc/11/80/34/531118034.db2.gz JNGMIVMWMNZFOT-UHFFFAOYSA-N 1 2 383.451 1.828 20 5 GDBDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000150933536 531130792 /nfs/dbraw/zinc/13/07/92/531130792.db2.gz PJZHLJXREQRQPU-UHFFFAOYSA-N 1 2 386.246 1.690 20 5 GDBDLO Cc1sc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000472936462 531245206 /nfs/dbraw/zinc/24/52/06/531245206.db2.gz DBGWIWNEJCDEKF-UHFFFAOYSA-N 1 2 390.531 1.659 20 5 GDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000266767931 531368609 /nfs/dbraw/zinc/36/86/09/531368609.db2.gz VDIQPCDEUCHKPU-LBPRGKRZSA-N 1 2 384.483 1.701 20 5 GDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000538071001 531465041 /nfs/dbraw/zinc/46/50/41/531465041.db2.gz ZNMIUQMCBCEUJT-UHFFFAOYSA-N 1 2 382.295 1.971 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000610260614 531499322 /nfs/dbraw/zinc/49/93/22/531499322.db2.gz MVHRPEJWBFLUAA-NSHDSACASA-N 1 2 382.467 1.776 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000610260614 531499330 /nfs/dbraw/zinc/49/93/30/531499330.db2.gz MVHRPEJWBFLUAA-NSHDSACASA-N 1 2 382.467 1.776 20 5 GDBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366474285 531749091 /nfs/dbraw/zinc/74/90/91/531749091.db2.gz NLLWZJIBZRDADF-CYBMUJFWSA-N 1 2 384.230 1.904 20 5 GDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000599246401 532018358 /nfs/dbraw/zinc/01/83/58/532018358.db2.gz DJGHAHGJJOMCNW-LBPRGKRZSA-N 1 2 387.849 1.563 20 5 GDBDLO COc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c([N+](=O)[O-])cc1F ZINC000301615780 532038080 /nfs/dbraw/zinc/03/80/80/532038080.db2.gz JFHSVDAMBVQHGF-UHFFFAOYSA-N 1 2 375.422 1.663 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000579177426 532060035 /nfs/dbraw/zinc/06/00/35/532060035.db2.gz WPUJNBAKKRYRSR-MFKMUULPSA-N 1 2 392.193 1.375 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000579177426 532060038 /nfs/dbraw/zinc/06/00/38/532060038.db2.gz WPUJNBAKKRYRSR-MFKMUULPSA-N 1 2 392.193 1.375 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000285322088 532067719 /nfs/dbraw/zinc/06/77/19/532067719.db2.gz WRWAJFBVOKLNIH-UHFFFAOYSA-N 1 2 381.813 1.076 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000285322088 532067724 /nfs/dbraw/zinc/06/77/24/532067724.db2.gz WRWAJFBVOKLNIH-UHFFFAOYSA-N 1 2 381.813 1.076 20 5 GDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000332588776 532197977 /nfs/dbraw/zinc/19/79/77/532197977.db2.gz JMUJWZNDSXHESR-GJZGRUSLSA-N 1 2 398.257 1.831 20 5 GDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000332588776 532197980 /nfs/dbraw/zinc/19/79/80/532197980.db2.gz JMUJWZNDSXHESR-GJZGRUSLSA-N 1 2 398.257 1.831 20 5 GDBDLO CNc1cc(N2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000826090593 607841038 /nfs/dbraw/zinc/84/10/38/607841038.db2.gz JMXQOBYUDRNGBG-LBPRGKRZSA-N 1 2 396.415 1.688 20 5 GDBDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919110998 660246358 /nfs/dbraw/zinc/24/63/58/660246358.db2.gz JFGXTPJNPDKLJD-UPHRSURJSA-N 1 2 384.230 1.862 20 5 GDBDLO CN(C)S(=O)(=O)c1ccc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000573087166 651467569 /nfs/dbraw/zinc/46/75/69/651467569.db2.gz VNMXRVYQWNFLSU-LLVKDONJSA-N 1 2 375.472 1.268 20 5 GDBDLO CN(C)S(=O)(=O)c1ccc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000573087166 651467571 /nfs/dbraw/zinc/46/75/71/651467571.db2.gz VNMXRVYQWNFLSU-LLVKDONJSA-N 1 2 375.472 1.268 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000577531634 651736422 /nfs/dbraw/zinc/73/64/22/651736422.db2.gz YDHQHVQXIZZVJN-LLVKDONJSA-N 1 2 389.499 1.839 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000577531634 651736426 /nfs/dbraw/zinc/73/64/26/651736426.db2.gz YDHQHVQXIZZVJN-LLVKDONJSA-N 1 2 389.499 1.839 20 5 GDBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000731570638 654437652 /nfs/dbraw/zinc/43/76/52/654437652.db2.gz ZGZKJHOHKYHSHO-UHFFFAOYSA-N 1 2 386.499 1.390 20 5 GDBDLO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1CCO ZINC000779315682 654759512 /nfs/dbraw/zinc/75/95/12/654759512.db2.gz ABEOJUBWVYYHGY-SECBINFHSA-N 1 2 390.209 1.635 20 5 GDBDLO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@H+]1CCO ZINC000779315682 654759515 /nfs/dbraw/zinc/75/95/15/654759515.db2.gz ABEOJUBWVYYHGY-SECBINFHSA-N 1 2 390.209 1.635 20 5 GDBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000868089110 656140303 /nfs/dbraw/zinc/14/03/03/656140303.db2.gz MCUYSFJTNYAMKK-ZDUSSCGKSA-N 1 2 397.273 1.406 20 5 GDBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000868089110 656140306 /nfs/dbraw/zinc/14/03/06/656140306.db2.gz MCUYSFJTNYAMKK-ZDUSSCGKSA-N 1 2 397.273 1.406 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000907789915 659831630 /nfs/dbraw/zinc/83/16/30/659831630.db2.gz RLHLJLIJMTZZJA-UHFFFAOYSA-N 1 2 390.893 1.425 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000907789915 659831634 /nfs/dbraw/zinc/83/16/34/659831634.db2.gz RLHLJLIJMTZZJA-UHFFFAOYSA-N 1 2 390.893 1.425 20 5 GDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C)c1C ZINC001164697771 719857835 /nfs/dbraw/zinc/85/78/35/719857835.db2.gz ALFZYDNMPDMHMM-BEFAXECRSA-N 1 2 392.456 1.839 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000160392669 530551917 /nfs/dbraw/zinc/55/19/17/530551917.db2.gz SXDWZSGXQJXJNF-NSHDSACASA-N 1 2 377.850 1.495 20 5 GDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1csc(C2CC2)n1 ZINC000116922432 530909835 /nfs/dbraw/zinc/90/98/35/530909835.db2.gz KNBZYKPSPXYREE-UHFFFAOYSA-N 1 2 382.467 1.997 20 5 GDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000113329538 530889032 /nfs/dbraw/zinc/88/90/32/530889032.db2.gz JYEQPPQXQWZQIZ-UHFFFAOYSA-N 1 2 382.467 1.997 20 5 GDBDLO NS(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000119590598 530927906 /nfs/dbraw/zinc/92/79/06/530927906.db2.gz QDUAGVZEWKIULG-UHFFFAOYSA-N 1 2 382.467 1.644 20 5 GDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000123257193 530981928 /nfs/dbraw/zinc/98/19/28/530981928.db2.gz PZSLPRXTCUHAGR-LBPRGKRZSA-N 1 2 391.877 1.634 20 5 GDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292154474 531338147 /nfs/dbraw/zinc/33/81/47/531338147.db2.gz KMIHPHQOIYHJOQ-NSHDSACASA-N 1 2 390.849 1.152 20 5 GDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292154474 531338153 /nfs/dbraw/zinc/33/81/53/531338153.db2.gz KMIHPHQOIYHJOQ-NSHDSACASA-N 1 2 390.849 1.152 20 5 GDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292731444 531374278 /nfs/dbraw/zinc/37/42/78/531374278.db2.gz GHENNFLMHSSGTC-GFCCVEGCSA-N 1 2 379.385 1.662 20 5 GDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292731444 531374279 /nfs/dbraw/zinc/37/42/79/531374279.db2.gz GHENNFLMHSSGTC-GFCCVEGCSA-N 1 2 379.385 1.662 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672391 531737472 /nfs/dbraw/zinc/73/74/72/531737472.db2.gz YPBXNQLXDICCSE-WDEREUQCSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672391 531737475 /nfs/dbraw/zinc/73/74/75/531737475.db2.gz YPBXNQLXDICCSE-WDEREUQCSA-N 1 2 391.877 1.632 20 5 GDBDLO CN(C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)S(C)(=O)=O ZINC000285714470 532106665 /nfs/dbraw/zinc/10/66/65/532106665.db2.gz UATAPMWJNQKHKE-NSHDSACASA-N 1 2 377.413 1.976 20 5 GDBDLO CN(C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)S(C)(=O)=O ZINC000285714470 532106668 /nfs/dbraw/zinc/10/66/68/532106668.db2.gz UATAPMWJNQKHKE-NSHDSACASA-N 1 2 377.413 1.976 20 5 GDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376218992 532200002 /nfs/dbraw/zinc/20/00/02/532200002.db2.gz MCZTWCLYCXPBRW-WDEREUQCSA-N 1 2 399.245 1.688 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000274491895 532213556 /nfs/dbraw/zinc/21/35/56/532213556.db2.gz HOKRQJKTNAJBKC-UHFFFAOYSA-N 1 2 386.495 1.967 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000274491895 532213560 /nfs/dbraw/zinc/21/35/60/532213560.db2.gz HOKRQJKTNAJBKC-UHFFFAOYSA-N 1 2 386.495 1.967 20 5 GDBDLO Cc1ncc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)s1 ZINC000737491487 598335396 /nfs/dbraw/zinc/33/53/96/598335396.db2.gz KFBYXFMJJRITGG-UHFFFAOYSA-N 1 2 386.441 1.862 20 5 GDBDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000826287780 608836364 /nfs/dbraw/zinc/83/63/64/608836364.db2.gz CUBFAAYENWUTEC-CYBMUJFWSA-N 1 2 395.427 1.584 20 5 GDBDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000826287780 608836365 /nfs/dbraw/zinc/83/63/65/608836365.db2.gz CUBFAAYENWUTEC-CYBMUJFWSA-N 1 2 395.427 1.584 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc([N+](=O)[O-])c1F ZINC000154308658 644803095 /nfs/dbraw/zinc/80/30/95/644803095.db2.gz RDDIFIKADUNNDC-UHFFFAOYSA-N 1 2 375.422 1.120 20 5 GDBDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000194339739 645060164 /nfs/dbraw/zinc/06/01/64/645060164.db2.gz LALBWGBLDXMEMZ-TXEJJXNPSA-N 1 2 375.422 1.512 20 5 GDBDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000194339739 645060167 /nfs/dbraw/zinc/06/01/67/645060167.db2.gz LALBWGBLDXMEMZ-TXEJJXNPSA-N 1 2 375.422 1.512 20 5 GDBDLO Cc1sc(S(=O)(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000467419028 647643404 /nfs/dbraw/zinc/64/34/04/647643404.db2.gz MGHJKLHCCBZRDI-GFCCVEGCSA-N 1 2 377.488 1.600 20 5 GDBDLO Cc1sc(S(=O)(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000467419028 647643407 /nfs/dbraw/zinc/64/34/07/647643407.db2.gz MGHJKLHCCBZRDI-GFCCVEGCSA-N 1 2 377.488 1.600 20 5 GDBDLO CN(CC(=O)NCCc1c[nH+]cn1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803096164 654967562 /nfs/dbraw/zinc/96/75/62/654967562.db2.gz CUCLHGQNWHNGQC-UHFFFAOYSA-N 1 2 396.245 1.886 20 5 GDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000807284023 655080839 /nfs/dbraw/zinc/08/08/39/655080839.db2.gz HFUSEIYCWJOTOO-LBPRGKRZSA-N 1 2 397.185 1.525 20 5 GDBDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795804033 655188203 /nfs/dbraw/zinc/18/82/03/655188203.db2.gz OLSPHCNJJQEZLS-MRVPVSSYSA-N 1 2 396.238 1.869 20 5 GDBDLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795804033 655188204 /nfs/dbraw/zinc/18/82/04/655188204.db2.gz OLSPHCNJJQEZLS-MRVPVSSYSA-N 1 2 396.238 1.869 20 5 GDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842877537 655382137 /nfs/dbraw/zinc/38/21/37/655382137.db2.gz DQDVJJGLNZTBAA-GFCCVEGCSA-N 1 2 396.238 1.679 20 5 GDBDLO Cn1cc([C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[NH2+]2)cn1 ZINC000913467424 660081224 /nfs/dbraw/zinc/08/12/24/660081224.db2.gz MNSLMIICHDXASW-ZDUSSCGKSA-N 1 2 394.229 1.878 20 5 GDBDLO COCCN1CC[N@H+](C)C2(CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1=O ZINC001164637475 719267440 /nfs/dbraw/zinc/26/74/40/719267440.db2.gz LEGQJXZRFNFYOT-UHFFFAOYSA-N 1 2 377.445 1.058 20 5 GDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1=O ZINC001164637475 719267445 /nfs/dbraw/zinc/26/74/45/719267445.db2.gz LEGQJXZRFNFYOT-UHFFFAOYSA-N 1 2 377.445 1.058 20 5 GDBDLO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108400116 530857601 /nfs/dbraw/zinc/85/76/01/530857601.db2.gz OHAWYLPPIRMMCG-LLVKDONJSA-N 1 2 377.850 1.637 20 5 GDBDLO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108400116 530857602 /nfs/dbraw/zinc/85/76/02/530857602.db2.gz OHAWYLPPIRMMCG-LLVKDONJSA-N 1 2 377.850 1.637 20 5 GDBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000111345870 530873685 /nfs/dbraw/zinc/87/36/85/530873685.db2.gz WOLYYUMXAAUYOY-UHFFFAOYSA-N 1 2 377.850 1.591 20 5 GDBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188319015 530892056 /nfs/dbraw/zinc/89/20/56/530892056.db2.gz MSGSZKLLUNRFAL-NSHDSACASA-N 1 2 375.422 1.200 20 5 GDBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188319015 530892059 /nfs/dbraw/zinc/89/20/59/530892059.db2.gz MSGSZKLLUNRFAL-NSHDSACASA-N 1 2 375.422 1.200 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000122771516 530975888 /nfs/dbraw/zinc/97/58/88/530975888.db2.gz YILQQEJIINWDLZ-VXGBXAGGSA-N 1 2 375.422 1.200 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000122771516 530975890 /nfs/dbraw/zinc/97/58/90/530975890.db2.gz YILQQEJIINWDLZ-VXGBXAGGSA-N 1 2 375.422 1.200 20 5 GDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000277990634 531325978 /nfs/dbraw/zinc/32/59/78/531325978.db2.gz RFJBMGZEKRRWKY-UHFFFAOYSA-N 1 2 384.230 1.952 20 5 GDBDLO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000480779255 531377867 /nfs/dbraw/zinc/37/78/67/531377867.db2.gz MPVZBPUNOGMGIL-UHFFFAOYSA-N 1 2 390.259 1.898 20 5 GDBDLO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000480779255 531377870 /nfs/dbraw/zinc/37/78/70/531377870.db2.gz MPVZBPUNOGMGIL-UHFFFAOYSA-N 1 2 390.259 1.898 20 5 GDBDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532572612 531423226 /nfs/dbraw/zinc/42/32/26/531423226.db2.gz FIUADMCKDPFHRF-UHFFFAOYSA-N 1 2 399.245 1.850 20 5 GDBDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532572612 531423232 /nfs/dbraw/zinc/42/32/32/531423232.db2.gz FIUADMCKDPFHRF-UHFFFAOYSA-N 1 2 399.245 1.850 20 5 GDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267981761 531465030 /nfs/dbraw/zinc/46/50/30/531465030.db2.gz YBKRKXNQPGUQJI-UHFFFAOYSA-N 1 2 390.209 1.901 20 5 GDBDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845179 531741121 /nfs/dbraw/zinc/74/11/21/531741121.db2.gz IHCDPBGYSOVXEW-UHFFFAOYSA-N 1 2 392.275 1.825 20 5 GDBDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845179 531741125 /nfs/dbraw/zinc/74/11/25/531741125.db2.gz IHCDPBGYSOVXEW-UHFFFAOYSA-N 1 2 392.275 1.825 20 5 GDBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366474286 531748849 /nfs/dbraw/zinc/74/88/49/531748849.db2.gz NLLWZJIBZRDADF-ZDUSSCGKSA-N 1 2 384.230 1.904 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)nc1 ZINC000593534506 531839565 /nfs/dbraw/zinc/83/95/65/531839565.db2.gz BQFLKGGWWSQZPJ-UHFFFAOYSA-N 1 2 382.467 1.600 20 5 GDBDLO [NH3+][C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cscn1 ZINC000569357532 531920579 /nfs/dbraw/zinc/92/05/79/531920579.db2.gz PYTKFIRPSFJYJO-LBPRGKRZSA-N 1 2 381.439 1.097 20 5 GDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301695671 532038200 /nfs/dbraw/zinc/03/82/00/532038200.db2.gz PNVNHEQDERZSIO-JTQLQIEISA-N 1 2 398.261 1.541 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000374852659 532140922 /nfs/dbraw/zinc/14/09/22/532140922.db2.gz IVNKKXHWRDWFDA-KBPBESRZSA-N 1 2 389.861 1.468 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274211326 532195085 /nfs/dbraw/zinc/19/50/85/532195085.db2.gz LCOPRHZQJPKYSY-UHFFFAOYSA-N 1 2 378.834 1.988 20 5 GDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738271480 598992478 /nfs/dbraw/zinc/99/24/78/598992478.db2.gz VXHJBJLCPYMCCI-UHFFFAOYSA-N 1 2 393.407 1.733 20 5 GDBDLO C[C@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1C[N@H+](C)CCO1 ZINC000820451308 607306777 /nfs/dbraw/zinc/30/67/77/607306777.db2.gz UTUBJCDZMJQFOJ-ZUZCIYMTSA-N 1 2 384.400 1.454 20 5 GDBDLO C[C@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1C[N@@H+](C)CCO1 ZINC000820451308 607306778 /nfs/dbraw/zinc/30/67/78/607306778.db2.gz UTUBJCDZMJQFOJ-ZUZCIYMTSA-N 1 2 384.400 1.454 20 5 GDBDLO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCN(C)CC1 ZINC000820274110 599518250 /nfs/dbraw/zinc/51/82/50/599518250.db2.gz DMEDWBCTNZGJNE-GFCCVEGCSA-N 1 2 397.443 1.371 20 5 GDBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068505921 644564621 /nfs/dbraw/zinc/56/46/21/644564621.db2.gz PIAFLESVFKYIOX-UHFFFAOYSA-N 1 2 389.861 1.487 20 5 GDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000119754586 644661780 /nfs/dbraw/zinc/66/17/80/644661780.db2.gz PYYDROJVCBVRHW-GFCCVEGCSA-N 1 2 375.472 1.389 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917050188 660204455 /nfs/dbraw/zinc/20/44/55/660204455.db2.gz ATUYOFGHZKSUMP-GFCCVEGCSA-N 1 2 388.877 1.225 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917050188 660204457 /nfs/dbraw/zinc/20/44/57/660204457.db2.gz ATUYOFGHZKSUMP-GFCCVEGCSA-N 1 2 388.877 1.225 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000467077942 647630386 /nfs/dbraw/zinc/63/03/86/647630386.db2.gz DNORVSRUKLDZFH-LBPRGKRZSA-N 1 2 375.472 1.308 20 5 GDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592390708 652188312 /nfs/dbraw/zinc/18/83/12/652188312.db2.gz HORWYZPUCFAPFL-GFCCVEGCSA-N 1 2 396.238 1.679 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1Br ZINC000782478353 654832866 /nfs/dbraw/zinc/83/28/66/654832866.db2.gz QPHZMEMMVDKPNX-UHFFFAOYSA-N 1 2 387.215 1.799 20 5 GDBDLO NS(=O)(=O)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000785984497 654929900 /nfs/dbraw/zinc/92/99/00/654929900.db2.gz HBSFZFTZPWSCMA-UHFFFAOYSA-N 1 2 378.248 1.610 20 5 GDBDLO COC1CC[NH+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815023391 655279300 /nfs/dbraw/zinc/27/93/00/655279300.db2.gz SXGNCRVBZPLUTL-UHFFFAOYSA-N 1 2 395.840 1.776 20 5 GDBDLO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840473587 655288558 /nfs/dbraw/zinc/28/85/58/655288558.db2.gz PQUHETVQQQFPJJ-ZYHUDNBSSA-N 1 2 384.234 1.200 20 5 GDBDLO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840473587 655288565 /nfs/dbraw/zinc/28/85/65/655288565.db2.gz PQUHETVQQQFPJJ-ZYHUDNBSSA-N 1 2 384.234 1.200 20 5 GDBDLO CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[N@H+](C)CC1 ZINC000907789129 659831613 /nfs/dbraw/zinc/83/16/13/659831613.db2.gz GWNFOTWJEYJDHE-UHFFFAOYSA-N 1 2 394.856 1.255 20 5 GDBDLO CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[N@@H+](C)CC1 ZINC000907789129 659831619 /nfs/dbraw/zinc/83/16/19/659831619.db2.gz GWNFOTWJEYJDHE-UHFFFAOYSA-N 1 2 394.856 1.255 20 5 GDBDLO Cn1cc([C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[NH2+]2)cn1 ZINC000913467423 660081207 /nfs/dbraw/zinc/08/12/07/660081207.db2.gz MNSLMIICHDXASW-CYBMUJFWSA-N 1 2 394.229 1.878 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001164696670 719839754 /nfs/dbraw/zinc/83/97/54/719839754.db2.gz ATRFTKCLTOSXCX-YVEFUNNKSA-N 1 2 398.847 1.876 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000160415912 530551840 /nfs/dbraw/zinc/55/18/40/530551840.db2.gz YYLMOVLMFPKTBU-NSHDSACASA-N 1 2 377.850 1.495 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1[N+](=O)[O-] ZINC000182443613 530799751 /nfs/dbraw/zinc/79/97/51/530799751.db2.gz RHQWANKGWISZDK-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000097549186 530821498 /nfs/dbraw/zinc/82/14/98/530821498.db2.gz HFSITEZWIAUMNO-UHFFFAOYSA-N 1 2 386.149 1.863 20 5 GDBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189085794 530907665 /nfs/dbraw/zinc/90/76/65/530907665.db2.gz FHHSKXRTHQOJKU-UHFFFAOYSA-N 1 2 377.850 1.557 20 5 GDBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189085794 530907668 /nfs/dbraw/zinc/90/76/68/530907668.db2.gz FHHSKXRTHQOJKU-UHFFFAOYSA-N 1 2 377.850 1.557 20 5 GDBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188311052 530891248 /nfs/dbraw/zinc/89/12/48/530891248.db2.gz TYRDYFOXOOFVHE-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188311052 530891251 /nfs/dbraw/zinc/89/12/51/530891251.db2.gz TYRDYFOXOOFVHE-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188317462 530891675 /nfs/dbraw/zinc/89/16/75/530891675.db2.gz VDJISRLMPOTKMG-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188317462 530891677 /nfs/dbraw/zinc/89/16/77/530891677.db2.gz VDJISRLMPOTKMG-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000117370288 530913051 /nfs/dbraw/zinc/91/30/51/530913051.db2.gz PQYNVSUSGIHERD-LLVKDONJSA-N 1 2 377.850 1.589 20 5 GDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000117370288 530913055 /nfs/dbraw/zinc/91/30/55/530913055.db2.gz PQYNVSUSGIHERD-LLVKDONJSA-N 1 2 377.850 1.589 20 5 GDBDLO O=C(NCCn1cc[nH+]c1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000123273769 530981943 /nfs/dbraw/zinc/98/19/43/530981943.db2.gz SENFRUSPDPYLPS-UHFFFAOYSA-N 1 2 386.149 1.826 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000451666503 531658536 /nfs/dbraw/zinc/65/85/36/531658536.db2.gz HEFICKZPRNUWLG-NSHDSACASA-N 1 2 377.850 1.373 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000451666503 531658542 /nfs/dbraw/zinc/65/85/42/531658542.db2.gz HEFICKZPRNUWLG-NSHDSACASA-N 1 2 377.850 1.373 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451884838 531703053 /nfs/dbraw/zinc/70/30/53/531703053.db2.gz ADSGTDJHAMFRRL-PHIMTYICSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000451884838 531703055 /nfs/dbraw/zinc/70/30/55/531703055.db2.gz ADSGTDJHAMFRRL-PHIMTYICSA-N 1 2 377.850 1.324 20 5 GDBDLO CS(=O)(=O)N1CCN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c[nH+]2)CC1 ZINC000619695743 531714580 /nfs/dbraw/zinc/71/45/80/531714580.db2.gz ZESRHVRQTGOLAX-UHFFFAOYSA-N 1 2 384.443 1.272 20 5 GDBDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602708691 532081122 /nfs/dbraw/zinc/08/11/22/532081122.db2.gz PQDIGCNDHHBMNJ-RKDXNWHRSA-N 1 2 385.261 1.320 20 5 GDBDLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)N1 ZINC000425478062 532141248 /nfs/dbraw/zinc/14/12/48/532141248.db2.gz NBBASXSTEBKONE-CQSZACIVSA-N 1 2 383.202 1.531 20 5 GDBDLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)N1 ZINC000425478062 532141250 /nfs/dbraw/zinc/14/12/50/532141250.db2.gz NBBASXSTEBKONE-CQSZACIVSA-N 1 2 383.202 1.531 20 5 GDBDLO C[C@@H]1COCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000359977316 206276141 /nfs/dbraw/zinc/27/61/41/206276141.db2.gz KKBPFWUFMDJSGJ-AWEZNQCLSA-N 1 2 398.485 1.004 20 5 GDBDLO CNc1cc(N2CCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nc[nH+]1 ZINC000736887220 598502001 /nfs/dbraw/zinc/50/20/01/598502001.db2.gz LNQZYWLCQISWEF-SNVBAGLBSA-N 1 2 397.403 1.083 20 5 GDBDLO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000738177598 599578827 /nfs/dbraw/zinc/57/88/27/599578827.db2.gz JZWFJCLVSUVCBF-UHFFFAOYSA-N 1 2 397.399 1.280 20 5 GDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323837 660290158 /nfs/dbraw/zinc/29/01/58/660290158.db2.gz OGLSFPABPXFIJF-NEPJUHHUSA-N 1 2 375.447 1.592 20 5 GDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323837 660290161 /nfs/dbraw/zinc/29/01/61/660290161.db2.gz OGLSFPABPXFIJF-NEPJUHHUSA-N 1 2 375.447 1.592 20 5 GDBDLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609279163 652840211 /nfs/dbraw/zinc/84/02/11/652840211.db2.gz LDPHSZWUQVZEPL-NSHDSACASA-N 1 2 377.850 1.637 20 5 GDBDLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609279163 652840219 /nfs/dbraw/zinc/84/02/19/652840219.db2.gz LDPHSZWUQVZEPL-NSHDSACASA-N 1 2 377.850 1.637 20 5 GDBDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769382776 654458181 /nfs/dbraw/zinc/45/81/81/654458181.db2.gz ALBQMJUNEIPNRT-JTQLQIEISA-N 1 2 392.275 1.858 20 5 GDBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769382776 654458185 /nfs/dbraw/zinc/45/81/85/654458185.db2.gz ALBQMJUNEIPNRT-JTQLQIEISA-N 1 2 392.275 1.858 20 5 GDBDLO Cn1cc(C[NH+]2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)cn1 ZINC000729988673 654923065 /nfs/dbraw/zinc/92/30/65/654923065.db2.gz LFZHYORNVQGTPV-UHFFFAOYSA-N 1 2 384.238 1.063 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000815007022 655277191 /nfs/dbraw/zinc/27/71/91/655277191.db2.gz MVNPRDBPMXSREB-VHSXEESVSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000815007022 655277198 /nfs/dbraw/zinc/27/71/98/655277198.db2.gz MVNPRDBPMXSREB-VHSXEESVSA-N 1 2 393.824 1.529 20 5 GDBDLO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840292367 655282738 /nfs/dbraw/zinc/28/27/38/655282738.db2.gz QKIYPJYHNXTPMD-BXUZGUMPSA-N 1 2 383.246 1.805 20 5 GDBDLO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840292367 655282743 /nfs/dbraw/zinc/28/27/43/655282743.db2.gz QKIYPJYHNXTPMD-BXUZGUMPSA-N 1 2 383.246 1.805 20 5 GDBDLO CN1C(=O)NC2(CC[NH+](Cc3cc([N+](=O)[O-])ccc3Br)CC2)C1=O ZINC000930123009 657001919 /nfs/dbraw/zinc/00/19/19/657001919.db2.gz JTXXNJOHQVDOSM-UHFFFAOYSA-N 1 2 397.229 1.874 20 5 GDBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1CO ZINC000913550666 660086542 /nfs/dbraw/zinc/08/65/42/660086542.db2.gz YHKOYSIRIHIKSA-SECBINFHSA-N 1 2 376.182 1.245 20 5 GDBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1CO ZINC000913550666 660086543 /nfs/dbraw/zinc/08/65/43/660086543.db2.gz YHKOYSIRIHIKSA-SECBINFHSA-N 1 2 376.182 1.245 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC)c([N+](=O)[O-])cn1 ZINC001164705975 719850675 /nfs/dbraw/zinc/85/06/75/719850675.db2.gz VTHAZVYRTHAEFE-SCLBCKFNSA-N 1 2 394.428 1.231 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001164706031 719857856 /nfs/dbraw/zinc/85/78/56/719857856.db2.gz WIVGUNUAZOQUTL-HNAYVOBHSA-N 1 2 392.456 1.839 20 5 GDBDLO Cc1c(Br)cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000178856192 530729572 /nfs/dbraw/zinc/72/95/72/530729572.db2.gz DPWLEAGQDPKXAV-GFCCVEGCSA-N 1 2 383.246 1.395 20 5 GDBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[NH+]2CCOCC2)c1 ZINC000182514195 530800825 /nfs/dbraw/zinc/80/08/25/530800825.db2.gz FJZMDVKKFHNIDD-UHFFFAOYSA-N 1 2 377.850 1.557 20 5 GDBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188317482 530891953 /nfs/dbraw/zinc/89/19/53/530891953.db2.gz VDJISRLMPOTKMG-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188317482 530891956 /nfs/dbraw/zinc/89/19/56/530891956.db2.gz VDJISRLMPOTKMG-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000193983327 530997625 /nfs/dbraw/zinc/99/76/25/530997625.db2.gz RDKWDYGGRBFEDW-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000193983327 530997628 /nfs/dbraw/zinc/99/76/28/530997628.db2.gz RDKWDYGGRBFEDW-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262095446 531107630 /nfs/dbraw/zinc/10/76/30/531107630.db2.gz VCRVJQXNJKFJSS-GFCCVEGCSA-N 1 2 385.833 1.317 20 5 GDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292731447 531373987 /nfs/dbraw/zinc/37/39/87/531373987.db2.gz GHENNFLMHSSGTC-LBPRGKRZSA-N 1 2 379.385 1.662 20 5 GDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292731447 531373990 /nfs/dbraw/zinc/37/39/90/531373990.db2.gz GHENNFLMHSSGTC-LBPRGKRZSA-N 1 2 379.385 1.662 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360444267 531439385 /nfs/dbraw/zinc/43/93/85/531439385.db2.gz DXVKOHUGSDYITJ-TZMCWYRMSA-N 1 2 389.861 1.468 20 5 GDBDLO COc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000364070206 531533951 /nfs/dbraw/zinc/53/39/51/531533951.db2.gz BZWQHEQZJKJNKL-GFCCVEGCSA-N 1 2 375.422 1.645 20 5 GDBDLO COc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000364070206 531533961 /nfs/dbraw/zinc/53/39/61/531533961.db2.gz BZWQHEQZJKJNKL-GFCCVEGCSA-N 1 2 375.422 1.645 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000589258188 531668404 /nfs/dbraw/zinc/66/84/04/531668404.db2.gz NVDQOOVQKYSKPS-NWDGAFQWSA-N 1 2 378.166 1.127 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000589258188 531668410 /nfs/dbraw/zinc/66/84/10/531668410.db2.gz NVDQOOVQKYSKPS-NWDGAFQWSA-N 1 2 378.166 1.127 20 5 GDBDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000416536048 531667588 /nfs/dbraw/zinc/66/75/88/531667588.db2.gz OOUMQKAYSUOHIP-UHFFFAOYSA-N 1 2 378.332 1.868 20 5 GDBDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416645658 531722567 /nfs/dbraw/zinc/72/25/67/531722567.db2.gz KBIYHMZSTBINQQ-UHFFFAOYSA-N 1 2 391.877 1.980 20 5 GDBDLO C[C@](O)(CNc1ncc([N+](=O)[O-])cc1Br)C[NH+]1CCOCC1 ZINC000301521502 532034334 /nfs/dbraw/zinc/03/43/34/532034334.db2.gz HAESOCCQBMIIIB-ZDUSSCGKSA-N 1 2 375.223 1.247 20 5 GDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301695672 532038475 /nfs/dbraw/zinc/03/84/75/532038475.db2.gz PNVNHEQDERZSIO-SNVBAGLBSA-N 1 2 398.261 1.541 20 5 GDBDLO COc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000285481932 532087347 /nfs/dbraw/zinc/08/73/47/532087347.db2.gz CTZDXMRKLRFMPH-GFCCVEGCSA-N 1 2 375.422 1.598 20 5 GDBDLO COc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000285481932 532087349 /nfs/dbraw/zinc/08/73/49/532087349.db2.gz CTZDXMRKLRFMPH-GFCCVEGCSA-N 1 2 375.422 1.598 20 5 GDBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000272420987 532097599 /nfs/dbraw/zinc/09/75/99/532097599.db2.gz DWDPLQMRKMDKLQ-NSHDSACASA-N 1 2 376.866 1.081 20 5 GDBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000272420987 532097604 /nfs/dbraw/zinc/09/76/04/532097604.db2.gz DWDPLQMRKMDKLQ-NSHDSACASA-N 1 2 376.866 1.081 20 5 GDBDLO Cc1c(NC(=O)C(=O)NCc2[nH+]ccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000430314357 532246664 /nfs/dbraw/zinc/24/66/64/532246664.db2.gz YCQMXUGHAIOYSN-UHFFFAOYSA-N 1 2 396.201 1.654 20 5 GDBDLO Cc1ncc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)s1 ZINC000737490890 598502715 /nfs/dbraw/zinc/50/27/15/598502715.db2.gz ADQHFRSPEWIBLD-UHFFFAOYSA-N 1 2 387.429 1.257 20 5 GDBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229482 606417046 /nfs/dbraw/zinc/41/70/46/606417046.db2.gz VRLKWPZVGBVHHO-MEDUHNTESA-N 1 2 381.396 1.961 20 5 GDBDLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000078557502 644587960 /nfs/dbraw/zinc/58/79/60/644587960.db2.gz MZJKSUSFTAUUDI-GFCCVEGCSA-N 1 2 377.850 1.637 20 5 GDBDLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000078557502 644587967 /nfs/dbraw/zinc/58/79/67/644587967.db2.gz MZJKSUSFTAUUDI-GFCCVEGCSA-N 1 2 377.850 1.637 20 5 GDBDLO C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000919979976 660260811 /nfs/dbraw/zinc/26/08/11/660260811.db2.gz AQGQBKHDZTYWSP-ZANVPECISA-N 1 2 394.856 1.300 20 5 GDBDLO C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000919979976 660260813 /nfs/dbraw/zinc/26/08/13/660260813.db2.gz AQGQBKHDZTYWSP-ZANVPECISA-N 1 2 394.856 1.300 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000920009244 660263230 /nfs/dbraw/zinc/26/32/30/660263230.db2.gz JSTKRYJJOWKRJX-MFKMUULPSA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000920009244 660263234 /nfs/dbraw/zinc/26/32/34/660263234.db2.gz JSTKRYJJOWKRJX-MFKMUULPSA-N 1 2 376.866 1.161 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c([N+](=O)[O-])s1 ZINC000921321857 660288255 /nfs/dbraw/zinc/28/82/55/660288255.db2.gz KSCYIJTUEKXZLD-QWRGUYRKSA-N 1 2 377.513 1.823 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c([N+](=O)[O-])s1 ZINC000921321857 660288257 /nfs/dbraw/zinc/28/82/57/660288257.db2.gz KSCYIJTUEKXZLD-QWRGUYRKSA-N 1 2 377.513 1.823 20 5 GDBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nncn1C ZINC000494796316 648006861 /nfs/dbraw/zinc/00/68/61/648006861.db2.gz SMPZWZWHOFASDE-MRVPVSSYSA-N 1 2 383.206 1.775 20 5 GDBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CS(=O)(=O)CCO3)cs2)c1 ZINC000507858103 648253814 /nfs/dbraw/zinc/25/38/14/648253814.db2.gz CYLYMILKZDYCCA-AWEZNQCLSA-N 1 2 383.451 1.622 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOc3cccc(Br)c3C2)c1 ZINC000594031238 652268036 /nfs/dbraw/zinc/26/80/36/652268036.db2.gz ZEXLMDJFKQTOKG-GFCCVEGCSA-N 1 2 397.229 1.809 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOc3cccc(Br)c3C2)c1 ZINC000594031238 652268039 /nfs/dbraw/zinc/26/80/39/652268039.db2.gz ZEXLMDJFKQTOKG-GFCCVEGCSA-N 1 2 397.229 1.809 20 5 GDBDLO C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000618383317 652982241 /nfs/dbraw/zinc/98/22/41/652982241.db2.gz DNNMUNMHAGPYAS-APPZFPTMSA-N 1 2 378.248 1.868 20 5 GDBDLO C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000618383317 652982243 /nfs/dbraw/zinc/98/22/43/652982243.db2.gz DNNMUNMHAGPYAS-APPZFPTMSA-N 1 2 378.248 1.868 20 5 GDBDLO CN(CC(=O)NCCc1cn(C)c[nH+]1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000837718325 655194056 /nfs/dbraw/zinc/19/40/56/655194056.db2.gz VKGGEFALYVHBMF-UHFFFAOYSA-N 1 2 396.245 1.886 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000815015396 655278375 /nfs/dbraw/zinc/27/83/75/655278375.db2.gz KEAYKNKQOYTMJA-UHFFFAOYSA-N 1 2 381.813 1.076 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000815015396 655278377 /nfs/dbraw/zinc/27/83/77/655278377.db2.gz KEAYKNKQOYTMJA-UHFFFAOYSA-N 1 2 381.813 1.076 20 5 GDBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825786059 655493580 /nfs/dbraw/zinc/49/35/80/655493580.db2.gz GXJHYSGTZGSIAZ-UHFFFAOYSA-N 1 2 389.861 1.487 20 5 GDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000862108367 655838668 /nfs/dbraw/zinc/83/86/68/655838668.db2.gz VDHRTZJQCBPBQE-UHFFFAOYSA-N 1 2 385.218 1.345 20 5 GDBDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000867167829 656005883 /nfs/dbraw/zinc/00/58/83/656005883.db2.gz KPIFNZUFAWQWAR-JTQLQIEISA-N 1 2 395.231 1.397 20 5 GDBDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000867167829 656005886 /nfs/dbraw/zinc/00/58/86/656005886.db2.gz KPIFNZUFAWQWAR-JTQLQIEISA-N 1 2 395.231 1.397 20 5 GDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912720 721769132 /nfs/dbraw/zinc/76/91/32/721769132.db2.gz OXSXBRJNCWUOKY-HXUWFJFHSA-N 1 2 399.451 1.801 20 5 GDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912720 721769136 /nfs/dbraw/zinc/76/91/36/721769136.db2.gz OXSXBRJNCWUOKY-HXUWFJFHSA-N 1 2 399.451 1.801 20 5 GDBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126446329 531018629 /nfs/dbraw/zinc/01/86/29/531018629.db2.gz SAGVUPZDOSVNOT-AUADJRAKSA-N 1 2 392.275 1.995 20 5 GDBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126446329 531018631 /nfs/dbraw/zinc/01/86/31/531018631.db2.gz SAGVUPZDOSVNOT-AUADJRAKSA-N 1 2 392.275 1.995 20 5 GDBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262123761 531108935 /nfs/dbraw/zinc/10/89/35/531108935.db2.gz XLUFYACHCAXPGS-LBPRGKRZSA-N 1 2 385.833 1.317 20 5 GDBDLO NS(=O)(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000264114477 531168508 /nfs/dbraw/zinc/16/85/08/531168508.db2.gz JRINHVUFHZFLGG-UHFFFAOYSA-N 1 2 390.849 1.187 20 5 GDBDLO Cc1cc(Br)cn2cc(CNC(=O)c3cc([N+](=O)[O-])nn3C)[nH+]c12 ZINC000476652663 531316033 /nfs/dbraw/zinc/31/60/33/531316033.db2.gz BZNOGAVAPWRYCC-UHFFFAOYSA-N 1 2 393.201 1.977 20 5 GDBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295193442 531537429 /nfs/dbraw/zinc/53/74/29/531537429.db2.gz UDUKPFCLKYJHPI-VIFPVBQESA-N 1 2 398.268 1.589 20 5 GDBDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000416537851 531669026 /nfs/dbraw/zinc/66/90/26/531669026.db2.gz VEEIVVKBROJEOQ-UHFFFAOYSA-N 1 2 389.231 1.612 20 5 GDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269455652 531672854 /nfs/dbraw/zinc/67/28/54/531672854.db2.gz FLFJCHGHBMUSJH-SECBINFHSA-N 1 2 389.231 1.921 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000590590661 531693807 /nfs/dbraw/zinc/69/38/07/531693807.db2.gz IKSXWLOLDWFLCY-VXGBXAGGSA-N 1 2 375.422 1.118 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000590590661 531693817 /nfs/dbraw/zinc/69/38/17/531693817.db2.gz IKSXWLOLDWFLCY-VXGBXAGGSA-N 1 2 375.422 1.118 20 5 GDBDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416650236 531725145 /nfs/dbraw/zinc/72/51/45/531725145.db2.gz AJBHYRQSMSOZPW-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416650236 531725155 /nfs/dbraw/zinc/72/51/55/531725155.db2.gz AJBHYRQSMSOZPW-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H]1[C@@H](Nc2c(I)cncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000418915971 531861812 /nfs/dbraw/zinc/86/18/12/531861812.db2.gz QTFIEZYVEOVYDQ-SCZZXKLOSA-N 1 2 376.198 1.911 20 5 GDBDLO C[C@@H]1[C@@H](Nc2c(I)cncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000418915971 531861815 /nfs/dbraw/zinc/86/18/15/531861815.db2.gz QTFIEZYVEOVYDQ-SCZZXKLOSA-N 1 2 376.198 1.911 20 5 GDBDLO C[C@@](O)(CNc1ncc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000301671486 532038385 /nfs/dbraw/zinc/03/83/85/532038385.db2.gz FPOYMEWUMOBZRS-CYBMUJFWSA-N 1 2 375.223 1.247 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000579177425 532059471 /nfs/dbraw/zinc/05/94/71/532059471.db2.gz WPUJNBAKKRYRSR-GXFFZTMASA-N 1 2 392.193 1.375 20 5 GDBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000579177425 532059465 /nfs/dbraw/zinc/05/94/65/532059465.db2.gz WPUJNBAKKRYRSR-GXFFZTMASA-N 1 2 392.193 1.375 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378599017 532293644 /nfs/dbraw/zinc/29/36/44/532293644.db2.gz NXYAFPFQZOBQJF-TZMCWYRMSA-N 1 2 389.861 1.468 20 5 GDBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(-c3nn[nH]n3)cc1F)OCCO2 ZINC000738360599 598315795 /nfs/dbraw/zinc/31/57/95/598315795.db2.gz REJVOTHMXZKFPJ-UHFFFAOYSA-N 1 2 386.343 1.975 20 5 GDBDLO Cc1ncc(C[NH+]2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)s1 ZINC000822472454 606708640 /nfs/dbraw/zinc/70/86/40/606708640.db2.gz UHNKVWMYVGJBHG-UHFFFAOYSA-N 1 2 387.429 1.257 20 5 GDBDLO C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000919979975 660260842 /nfs/dbraw/zinc/26/08/42/660260842.db2.gz AQGQBKHDZTYWSP-TVQRCGJNSA-N 1 2 394.856 1.300 20 5 GDBDLO C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000919979975 660260843 /nfs/dbraw/zinc/26/08/43/660260843.db2.gz AQGQBKHDZTYWSP-TVQRCGJNSA-N 1 2 394.856 1.300 20 5 GDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000599304350 652483093 /nfs/dbraw/zinc/48/30/93/652483093.db2.gz RAUVAPRHBXCYNF-LBPRGKRZSA-N 1 2 387.849 1.563 20 5 GDBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610913655 652899442 /nfs/dbraw/zinc/89/94/42/652899442.db2.gz NFGCEMOSPBFAQA-LBPRGKRZSA-N 1 2 384.230 1.904 20 5 GDBDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000746472302 654762205 /nfs/dbraw/zinc/76/22/05/654762205.db2.gz DFYSKUMEBCVGIC-RUZDIDTESA-N 1 2 388.877 1.183 20 5 GDBDLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1C ZINC000815013928 655278086 /nfs/dbraw/zinc/27/80/86/655278086.db2.gz ZIVJVWVBNPGVGD-UHFFFAOYSA-N 1 2 391.812 1.665 20 5 GDBDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865122594 655912649 /nfs/dbraw/zinc/91/26/49/655912649.db2.gz CNVGQYRNROVUJW-UHFFFAOYSA-N 1 2 386.246 1.690 20 5 GDBDLO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000933032157 657247750 /nfs/dbraw/zinc/24/77/50/657247750.db2.gz NYFPMAWBBXZYRV-ZDUSSCGKSA-N 1 2 384.230 1.742 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164700865 719839851 /nfs/dbraw/zinc/83/98/51/719839851.db2.gz KZFJXIKFTWIMKJ-MEDUHNTESA-N 1 2 399.835 1.271 20 5 GDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917308 721815869 /nfs/dbraw/zinc/81/58/69/721815869.db2.gz KUJSLXRAUAQENF-UHFFFAOYSA-N 1 2 387.444 1.648 20 5 GDBDLO Nc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001164946713 721975609 /nfs/dbraw/zinc/97/56/09/721975609.db2.gz KITDZGOLWWJOEB-UHFFFAOYSA-N 1 2 396.451 1.543 20 5 GDBDLO Nc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001164946713 721975611 /nfs/dbraw/zinc/97/56/11/721975611.db2.gz KITDZGOLWWJOEB-UHFFFAOYSA-N 1 2 396.451 1.543 20 5 GDBDLO CCC(CC)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000820893068 945583862 /nfs/dbraw/zinc/58/38/62/945583862.db2.gz IZGHZUIUIJMRLN-AWEZNQCLSA-N 1 2 390.448 1.719 20 5 GDBDLO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000825934360 947375658 /nfs/dbraw/zinc/37/56/58/947375658.db2.gz OGLAEVSTDYYDLT-UHFFFAOYSA-N 1 2 375.368 1.284 20 5 GDBDLO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000825934360 947375670 /nfs/dbraw/zinc/37/56/70/947375670.db2.gz OGLAEVSTDYYDLT-UHFFFAOYSA-N 1 2 375.368 1.284 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173544314 530632782 /nfs/dbraw/zinc/63/27/82/530632782.db2.gz VOQXEQIRTYTFHJ-LBPRGKRZSA-N 1 2 389.861 1.591 20 5 GDBDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000055219256 530705999 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LPKUTZMCXINFMS-CQSZACIVSA-N 1 2 385.218 1.493 20 5 GDBDLO Cn1cc[nH+]c1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534291487 531437762 /nfs/dbraw/zinc/43/77/62/531437762.db2.gz FUANPBQXLBUZNZ-UHFFFAOYSA-N 1 2 386.149 1.863 20 5 GDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000611918257 531544971 /nfs/dbraw/zinc/54/49/71/531544971.db2.gz MUWWTSKMMNIYAW-LBPRGKRZSA-N 1 2 389.499 1.751 20 5 GDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000611918257 531544976 /nfs/dbraw/zinc/54/49/76/531544976.db2.gz MUWWTSKMMNIYAW-LBPRGKRZSA-N 1 2 389.499 1.751 20 5 GDBDLO CCNC(=O)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589252167 531669127 /nfs/dbraw/zinc/66/91/27/531669127.db2.gz DFCWBFQJKLTUFI-UHFFFAOYSA-N 1 2 377.182 1.767 20 5 GDBDLO CCNC(=O)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589252167 531669134 /nfs/dbraw/zinc/66/91/34/531669134.db2.gz DFCWBFQJKLTUFI-UHFFFAOYSA-N 1 2 377.182 1.767 20 5 GDBDLO 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GDBDLO O=C1CNC(=O)N1CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284758962 531989119 /nfs/dbraw/zinc/98/91/19/531989119.db2.gz LYDKGUQTKNRRBJ-UHFFFAOYSA-N 1 2 397.229 1.657 20 5 GDBDLO O=C1CNC(=O)N1CCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284758962 531989121 /nfs/dbraw/zinc/98/91/21/531989121.db2.gz LYDKGUQTKNRRBJ-UHFFFAOYSA-N 1 2 397.229 1.657 20 5 GDBDLO NS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000599646710 532034816 /nfs/dbraw/zinc/03/48/16/532034816.db2.gz JUXRBBNLKJOQSB-UHFFFAOYSA-N 1 2 393.263 1.115 20 5 GDBDLO C[C@]12C[NH+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@]1(C)C(=O)NC2=O ZINC000602722708 532081212 /nfs/dbraw/zinc/08/12/12/532081212.db2.gz BQUGRYSRTQVCSX-CHWSQXEVSA-N 1 2 388.243 1.903 20 5 GDBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000374040753 532109443 /nfs/dbraw/zinc/10/94/43/532109443.db2.gz RVTCXBRLMKOMPU-LLVKDONJSA-N 1 2 399.245 1.689 20 5 GDBDLO NS(=O)(=O)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425417422 532139256 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C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528957 992755142 /nfs/dbraw/zinc/75/51/42/992755142.db2.gz QVRMRJNRVKALQU-QUCCMNQESA-N 1 2 387.436 1.977 20 5 GDBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCN(C)CC1 ZINC000173455287 530630920 /nfs/dbraw/zinc/63/09/20/530630920.db2.gz RHUIWPTWVUUFTB-LBPRGKRZSA-N 1 2 390.893 1.410 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175465752 530665586 /nfs/dbraw/zinc/66/55/86/530665586.db2.gz HIDPBGGGTPVUGP-UHFFFAOYSA-N 1 2 389.861 1.734 20 5 GDBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093530777 530812834 /nfs/dbraw/zinc/81/28/34/530812834.db2.gz DLBWVGMOLQJPMC-GFCCVEGCSA-N 1 2 382.467 1.842 20 5 GDBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093530777 530812838 /nfs/dbraw/zinc/81/28/38/530812838.db2.gz DLBWVGMOLQJPMC-GFCCVEGCSA-N 1 2 382.467 1.842 20 5 GDBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000186236128 530854078 /nfs/dbraw/zinc/85/40/78/530854078.db2.gz NUZMYNNRZLHUTO-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000113361533 530889166 /nfs/dbraw/zinc/88/91/66/530889166.db2.gz KZHYJXIHLKDRQM-UHFFFAOYSA-N 1 2 385.467 1.559 20 5 GDBDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000194025579 530998143 /nfs/dbraw/zinc/99/81/43/530998143.db2.gz UGHMZAZLYVSGQJ-TXEJJXNPSA-N 1 2 375.422 1.464 20 5 GDBDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000194025579 530998146 /nfs/dbraw/zinc/99/81/46/530998146.db2.gz UGHMZAZLYVSGQJ-TXEJJXNPSA-N 1 2 375.422 1.464 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000249152690 531084923 /nfs/dbraw/zinc/08/49/23/531084923.db2.gz HPRYUNOHUPEABY-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000249152690 531084925 /nfs/dbraw/zinc/08/49/25/531084925.db2.gz HPRYUNOHUPEABY-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249210019 531085482 /nfs/dbraw/zinc/08/54/82/531085482.db2.gz SIAJGUIFOLLRAR-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249210019 531085486 /nfs/dbraw/zinc/08/54/86/531085486.db2.gz SIAJGUIFOLLRAR-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](CO)CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266150947 531317135 /nfs/dbraw/zinc/31/71/35/531317135.db2.gz SZKWEVSJAOKECF-GFCCVEGCSA-N 1 2 389.499 1.251 20 5 GDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(Sc3ncco3)c([N+](=O)[O-])c2)CC1 ZINC000277991509 531325721 /nfs/dbraw/zinc/32/57/21/531325721.db2.gz WRYAMFAMTNLXHN-UHFFFAOYSA-N 1 2 384.439 1.670 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000266782124 531369366 /nfs/dbraw/zinc/36/93/66/531369366.db2.gz XUROAUAAFQWWER-LBPRGKRZSA-N 1 2 384.483 1.701 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000451666502 531658467 /nfs/dbraw/zinc/65/84/67/531658467.db2.gz HEFICKZPRNUWLG-LLVKDONJSA-N 1 2 377.850 1.373 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000451666502 531658474 /nfs/dbraw/zinc/65/84/74/531658474.db2.gz HEFICKZPRNUWLG-LLVKDONJSA-N 1 2 377.850 1.373 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451673814 531663908 /nfs/dbraw/zinc/66/39/08/531663908.db2.gz XBBATPNBHXUZJY-NSHDSACASA-N 1 2 377.850 1.373 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451673814 531663913 /nfs/dbraw/zinc/66/39/13/531663913.db2.gz XBBATPNBHXUZJY-NSHDSACASA-N 1 2 377.850 1.373 20 5 GDBDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000416529515 531664057 /nfs/dbraw/zinc/66/40/57/531664057.db2.gz FFPKFOBUMGXVCB-UHFFFAOYSA-N 1 2 378.332 1.868 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672388 531737130 /nfs/dbraw/zinc/73/71/30/531737130.db2.gz YPBXNQLXDICCSE-QWRGUYRKSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672388 531737135 /nfs/dbraw/zinc/73/71/35/531737135.db2.gz YPBXNQLXDICCSE-QWRGUYRKSA-N 1 2 391.877 1.632 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000367720424 531856505 /nfs/dbraw/zinc/85/65/05/531856505.db2.gz LIUGMYVXKBASHE-VHSXEESVSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)c1 ZINC000595875590 531891799 /nfs/dbraw/zinc/89/17/99/531891799.db2.gz ABRIAINDLYGFBL-AWEZNQCLSA-N 1 2 397.229 1.809 20 5 GDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)c1 ZINC000595875590 531891803 /nfs/dbraw/zinc/89/18/03/531891803.db2.gz ABRIAINDLYGFBL-AWEZNQCLSA-N 1 2 397.229 1.809 20 5 GDBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271198343 531979226 /nfs/dbraw/zinc/97/92/26/531979226.db2.gz SENGKCUZEAPFQV-LLVKDONJSA-N 1 2 392.275 1.858 20 5 GDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271198343 531979228 /nfs/dbraw/zinc/97/92/28/531979228.db2.gz SENGKCUZEAPFQV-LLVKDONJSA-N 1 2 392.275 1.858 20 5 GDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271201182 531979881 /nfs/dbraw/zinc/97/98/81/531979881.db2.gz UGNBWOQPHDDVEW-UHFFFAOYSA-N 1 2 392.275 1.871 20 5 GDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000576279074 532021345 /nfs/dbraw/zinc/02/13/45/532021345.db2.gz GABQFENJIROQKH-GFCCVEGCSA-N 1 2 385.339 1.936 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500132 532032673 /nfs/dbraw/zinc/03/26/73/532032673.db2.gz PWBVWVKPXOLOGX-UHFFFAOYSA-N 1 2 389.861 1.734 20 5 GDBDLO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000377761001 532271925 /nfs/dbraw/zinc/27/19/25/532271925.db2.gz OSPGVYWIOAXKJV-UHFFFAOYSA-N 1 2 387.215 1.758 20 5 GDBDLO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288510633 532294464 /nfs/dbraw/zinc/29/44/64/532294464.db2.gz JVQZJBSZIAOZBD-UHFFFAOYSA-N 1 2 378.882 1.410 20 5 GDBDLO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288510633 532294468 /nfs/dbraw/zinc/29/44/68/532294468.db2.gz JVQZJBSZIAOZBD-UHFFFAOYSA-N 1 2 378.882 1.410 20 5 GDBDLO CN(CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288510633 532294472 /nfs/dbraw/zinc/29/44/72/532294472.db2.gz JVQZJBSZIAOZBD-UHFFFAOYSA-N 1 2 378.882 1.410 20 5 GDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000738359466 598673864 /nfs/dbraw/zinc/67/38/64/598673864.db2.gz RRIMKKBAXFWWPC-UHFFFAOYSA-N 1 2 385.388 1.047 20 5 GDBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000551417743 650606642 /nfs/dbraw/zinc/60/66/42/650606642.db2.gz FAVXOEGQNYGCLK-UHFFFAOYSA-N 1 2 397.229 1.602 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1Cl ZINC000917061350 660205063 /nfs/dbraw/zinc/20/50/63/660205063.db2.gz HCIBTQYYSUVWSM-JTQLQIEISA-N 1 2 392.840 1.056 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1Cl ZINC000917061350 660205064 /nfs/dbraw/zinc/20/50/64/660205064.db2.gz HCIBTQYYSUVWSM-JTQLQIEISA-N 1 2 392.840 1.056 20 5 GDBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000601357977 652570367 /nfs/dbraw/zinc/57/03/67/652570367.db2.gz ZTAJOYZVANWACK-LBPRGKRZSA-N 1 2 375.472 1.308 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000613472398 652958427 /nfs/dbraw/zinc/95/84/27/652958427.db2.gz OPPICGLCZXZKQE-CYBMUJFWSA-N 1 2 389.499 1.840 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000613472398 652958428 /nfs/dbraw/zinc/95/84/28/652958428.db2.gz OPPICGLCZXZKQE-CYBMUJFWSA-N 1 2 389.499 1.840 20 5 GDBDLO COCCOC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000829531796 654903530 /nfs/dbraw/zinc/90/35/30/654903530.db2.gz TUEGVEDLHRQUGO-LLVKDONJSA-N 1 2 389.246 1.739 20 5 GDBDLO COCCOC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000829531796 654903533 /nfs/dbraw/zinc/90/35/33/654903533.db2.gz TUEGVEDLHRQUGO-LLVKDONJSA-N 1 2 389.246 1.739 20 5 GDBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCn2c[nH+]cc2C1 ZINC000811787011 655204143 /nfs/dbraw/zinc/20/41/43/655204143.db2.gz DFGSPXXXHCDCHW-UHFFFAOYSA-N 1 2 392.213 1.983 20 5 GDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1 ZINC001164717603 720257453 /nfs/dbraw/zinc/25/74/53/720257453.db2.gz BTIRZRVHQMXJAB-IBGZPJMESA-N 1 2 391.472 1.271 20 5 GDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1 ZINC001164717603 720257464 /nfs/dbraw/zinc/25/74/64/720257464.db2.gz BTIRZRVHQMXJAB-IBGZPJMESA-N 1 2 391.472 1.271 20 5 GDBDLO O=[N+]([O-])c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164911531 721769441 /nfs/dbraw/zinc/76/94/41/721769441.db2.gz HCXXEFPGRAYLBQ-IBGZPJMESA-N 1 2 385.424 1.493 20 5 GDBDLO O=[N+]([O-])c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164911531 721769443 /nfs/dbraw/zinc/76/94/43/721769443.db2.gz HCXXEFPGRAYLBQ-IBGZPJMESA-N 1 2 385.424 1.493 20 5 GDBDLO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947636 721977376 /nfs/dbraw/zinc/97/73/76/721977376.db2.gz PSGDQYHJYBTVKO-UHFFFAOYSA-N 1 2 396.451 1.543 20 5 GDBDLO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947636 721977378 /nfs/dbraw/zinc/97/73/78/721977378.db2.gz PSGDQYHJYBTVKO-UHFFFAOYSA-N 1 2 396.451 1.543 20 5 GDBDLO C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528955 992753919 /nfs/dbraw/zinc/75/39/19/992753919.db2.gz QVRMRJNRVKALQU-AZUAARDMSA-N 1 2 387.436 1.977 20 5 GDBDLO C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528955 992753927 /nfs/dbraw/zinc/75/39/27/992753927.db2.gz QVRMRJNRVKALQU-AZUAARDMSA-N 1 2 387.436 1.977 20 5 GDBDLO C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCO2 ZINC001598590298 993433665 /nfs/dbraw/zinc/43/36/65/993433665.db2.gz SBSYJGFYYSQCQT-UHFFFAOYSA-N 1 2 379.413 1.355 20 5 GDBDLO C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCO2 ZINC001598590298 993433668 /nfs/dbraw/zinc/43/36/68/993433668.db2.gz SBSYJGFYYSQCQT-UHFFFAOYSA-N 1 2 379.413 1.355 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000158727322 530535755 /nfs/dbraw/zinc/53/57/55/530535755.db2.gz HKJDMJHKBDHEKI-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000158727322 530535757 /nfs/dbraw/zinc/53/57/57/530535757.db2.gz HKJDMJHKBDHEKI-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO 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C[S@](=O)CC[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000771147431 654530863 /nfs/dbraw/zinc/53/08/63/654530863.db2.gz QIHZVGIIAXYHHL-NRFANRHFSA-N 1 2 376.276 1.858 20 5 GDBDLO CN(CC(=O)NCc1c[nH+]cn1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000810754658 655172603 /nfs/dbraw/zinc/17/26/03/655172603.db2.gz DWEKMVOEUHGWER-UHFFFAOYSA-N 1 2 382.218 1.843 20 5 GDBDLO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000933032152 657247555 /nfs/dbraw/zinc/24/75/55/657247555.db2.gz NYFPMAWBBXZYRV-CYBMUJFWSA-N 1 2 384.230 1.742 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C)c1[N+](=O)[O-] ZINC001164701554 719845639 /nfs/dbraw/zinc/84/56/39/719845639.db2.gz MJSGFDUPWAWQQD-KBXCAEBGSA-N 1 2 378.429 1.531 20 5 GDBDLO Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164910361 721774520 /nfs/dbraw/zinc/77/45/20/721774520.db2.gz BGVOFVGDJPKDHG-FQEVSTJZSA-N 1 2 399.451 1.801 20 5 GDBDLO Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164910361 721774524 /nfs/dbraw/zinc/77/45/24/721774524.db2.gz BGVOFVGDJPKDHG-FQEVSTJZSA-N 1 2 399.451 1.801 20 5 GDBDLO CCOC(=O)c1nc(Cl)nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC001165039733 721901679 /nfs/dbraw/zinc/90/16/79/721901679.db2.gz ZKHDVJVASSTKTH-NSHDSACASA-N 1 2 399.835 1.516 20 5 GDBDLO C[C@H]1C[NH+](C(C)(C)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820743287 945545090 /nfs/dbraw/zinc/54/50/90/945545090.db2.gz SPVYIBFYUOLNGQ-QWRGUYRKSA-N 1 2 376.421 1.470 20 5 GDBDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000173528955 530632014 /nfs/dbraw/zinc/63/20/14/530632014.db2.gz BETDEDGJGBMINP-UHFFFAOYSA-N 1 2 375.422 1.465 20 5 GDBDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000173528045 530632258 /nfs/dbraw/zinc/63/22/58/530632258.db2.gz FIZQUTHHLCWZJC-UHFFFAOYSA-N 1 2 375.422 1.465 20 5 GDBDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000173528214 530632296 /nfs/dbraw/zinc/63/22/96/530632296.db2.gz 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Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261952050 531103736 /nfs/dbraw/zinc/10/37/36/531103736.db2.gz GCMBELHVSXHOFV-LBPRGKRZSA-N 1 2 385.833 1.317 20 5 GDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000277930461 531320876 /nfs/dbraw/zinc/32/08/76/531320876.db2.gz NSTNFLMJBZZRSZ-UHFFFAOYSA-N 1 2 384.230 1.952 20 5 GDBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447035947 531413781 /nfs/dbraw/zinc/41/37/81/531413781.db2.gz FBUWBCONCWVORS-SECBINFHSA-N 1 2 378.248 1.682 20 5 GDBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447035947 531413783 /nfs/dbraw/zinc/41/37/83/531413783.db2.gz FBUWBCONCWVORS-SECBINFHSA-N 1 2 378.248 1.682 20 5 GDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(CF)CF)c([N+](=O)[O-])c2)CC1 ZINC000450594924 531502081 /nfs/dbraw/zinc/50/20/81/531502081.db2.gz UBWSEZLWICGXTI-UHFFFAOYSA-N 1 2 378.401 1.250 20 5 GDBDLO COCC[N@@H+](C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295236217 531546158 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375.422 1.385 20 5 GDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(S[C@@H]3CCOC3)c([N+](=O)[O-])c2)CC1 ZINC000581107263 532076969 /nfs/dbraw/zinc/07/69/69/532076969.db2.gz NIONRRSUUKJTLT-GFCCVEGCSA-N 1 2 387.483 1.412 20 5 GDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000332588774 532197808 /nfs/dbraw/zinc/19/78/08/532197808.db2.gz JMUJWZNDSXHESR-CABCVRRESA-N 1 2 398.257 1.831 20 5 GDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000332588774 532197813 /nfs/dbraw/zinc/19/78/13/532197813.db2.gz JMUJWZNDSXHESR-CABCVRRESA-N 1 2 398.257 1.831 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000920017998 660263789 /nfs/dbraw/zinc/26/37/89/660263789.db2.gz DSARKKNCXVQWDX-ZWNOBZJWSA-N 1 2 376.866 1.161 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000920017998 660263791 /nfs/dbraw/zinc/26/37/91/660263791.db2.gz DSARKKNCXVQWDX-ZWNOBZJWSA-N 1 2 376.866 1.161 20 5 GDBDLO 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OEQNUIRNJUPFNH-UHFFFAOYSA-N 1 2 378.248 1.602 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173539168 530632280 /nfs/dbraw/zinc/63/22/80/530632280.db2.gz MFHIBUNPTXPODE-GFCCVEGCSA-N 1 2 389.861 1.591 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000174886599 530655661 /nfs/dbraw/zinc/65/56/61/530655661.db2.gz QEWNBXFMDQIMNF-GFCCVEGCSA-N 1 2 389.861 1.591 20 5 GDBDLO COc1c(F)cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000186245757 530853626 /nfs/dbraw/zinc/85/36/26/530853626.db2.gz WZNAOABYBJILBI-UHFFFAOYSA-N 1 2 375.422 1.705 20 5 GDBDLO C[N@@H+]1CCO[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000108945804 530860259 /nfs/dbraw/zinc/86/02/59/530860259.db2.gz HQNQUXIERYBTCZ-JTQLQIEISA-N 1 2 377.182 1.942 20 5 GDBDLO C[N@H+]1CCO[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000108945804 530860261 /nfs/dbraw/zinc/86/02/61/530860261.db2.gz HQNQUXIERYBTCZ-JTQLQIEISA-N 1 2 377.182 1.942 20 5 GDBDLO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000188808287 530902311 /nfs/dbraw/zinc/90/23/11/530902311.db2.gz WOWPOIBNTLHXBT-NSHDSACASA-N 1 2 375.422 1.200 20 5 GDBDLO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000188808287 530902313 /nfs/dbraw/zinc/90/23/13/530902313.db2.gz WOWPOIBNTLHXBT-NSHDSACASA-N 1 2 375.422 1.200 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189078904 530906052 /nfs/dbraw/zinc/90/60/52/530906052.db2.gz VJMTZADERFPCRT-WDEREUQCSA-N 1 2 391.877 1.632 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189078904 530906055 /nfs/dbraw/zinc/90/60/55/530906055.db2.gz VJMTZADERFPCRT-WDEREUQCSA-N 1 2 391.877 1.632 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCOC ZINC000117372319 530912312 /nfs/dbraw/zinc/91/23/12/530912312.db2.gz YTPGVIVKZOZVGC-LBPRGKRZSA-N 1 2 391.877 1.980 20 5 GDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCOC ZINC000117372319 530912315 /nfs/dbraw/zinc/91/23/15/530912315.db2.gz YTPGVIVKZOZVGC-LBPRGKRZSA-N 1 2 391.877 1.980 20 5 GDBDLO Cc1sc(S(=O)(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000123770466 530987949 /nfs/dbraw/zinc/98/79/49/530987949.db2.gz GHBHJEDUKOTJEF-UHFFFAOYSA-N 1 2 385.471 1.205 20 5 GDBDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000131344278 531070699 /nfs/dbraw/zinc/07/06/99/531070699.db2.gz NUHSFMYUMMLARF-UHFFFAOYSA-N 1 2 387.234 1.882 20 5 GDBDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000131344278 531070702 /nfs/dbraw/zinc/07/07/02/531070702.db2.gz NUHSFMYUMMLARF-UHFFFAOYSA-N 1 2 387.234 1.882 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1Cl ZINC000290775513 531255868 /nfs/dbraw/zinc/25/58/68/531255868.db2.gz OXNPKBCNXMBDJG-UHFFFAOYSA-N 1 2 381.813 1.076 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1Cl ZINC000290775513 531255872 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1.251 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000269274579 531633846 /nfs/dbraw/zinc/63/38/46/531633846.db2.gz HUVRKICHYJBINX-NSHDSACASA-N 1 2 376.866 1.081 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000269274579 531633853 /nfs/dbraw/zinc/63/38/53/531633853.db2.gz HUVRKICHYJBINX-NSHDSACASA-N 1 2 376.866 1.081 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1Cl ZINC000296108623 531655800 /nfs/dbraw/zinc/65/58/00/531655800.db2.gz GXHCABQJKGKXSD-JTQLQIEISA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000296108623 531655808 /nfs/dbraw/zinc/65/58/08/531655808.db2.gz GXHCABQJKGKXSD-JTQLQIEISA-N 1 2 395.840 1.512 20 5 GDBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269456872 531674391 /nfs/dbraw/zinc/67/43/91/531674391.db2.gz FLFJCHGHBMUSJH-VIFPVBQESA-N 1 2 389.231 1.921 20 5 GDBDLO 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CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001164719655 720214519 /nfs/dbraw/zinc/21/45/19/720214519.db2.gz SAHDOYYQKBHUKP-KRWDZBQOSA-N 1 2 397.863 1.308 20 5 GDBDLO Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913059 721769354 /nfs/dbraw/zinc/76/93/54/721769354.db2.gz UTRRQJWFWDZBRR-HXUWFJFHSA-N 1 2 399.451 1.801 20 5 GDBDLO Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913059 721769356 /nfs/dbraw/zinc/76/93/56/721769356.db2.gz UTRRQJWFWDZBRR-HXUWFJFHSA-N 1 2 399.451 1.801 20 5 GDBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181058572 530777217 /nfs/dbraw/zinc/77/72/17/530777217.db2.gz DWDFTJMVLGWKFD-CYBMUJFWSA-N 1 2 382.218 1.712 20 5 GDBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181058572 530777218 /nfs/dbraw/zinc/77/72/18/530777218.db2.gz DWDFTJMVLGWKFD-CYBMUJFWSA-N 1 2 382.218 1.712 20 5 GDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000182979890 530808025 /nfs/dbraw/zinc/80/80/25/530808025.db2.gz PSFYGDAKONKNDH-LBPRGKRZSA-N 1 2 375.422 1.120 20 5 GDBDLO Cc1c(Br)cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188798587 530900842 /nfs/dbraw/zinc/90/08/42/530900842.db2.gz STSLDVVQFLJPQS-JTQLQIEISA-N 1 2 386.246 1.804 20 5 GDBDLO Cc1c(Br)cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188798587 530900844 /nfs/dbraw/zinc/90/08/44/530900844.db2.gz STSLDVVQFLJPQS-JTQLQIEISA-N 1 2 386.246 1.804 20 5 GDBDLO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000121577139 530958925 /nfs/dbraw/zinc/95/89/25/530958925.db2.gz HLSGZNYYDGJRKR-UHFFFAOYSA-N 1 2 389.231 1.922 20 5 GDBDLO Cc1sc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122957329 530977741 /nfs/dbraw/zinc/97/77/41/530977741.db2.gz VZVWTFJSAWCVIJ-PHIMTYICSA-N 1 2 377.488 1.742 20 5 GDBDLO Cc1sc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122957329 530977746 /nfs/dbraw/zinc/97/77/46/530977746.db2.gz VZVWTFJSAWCVIJ-PHIMTYICSA-N 1 2 377.488 1.742 20 5 GDBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000123274520 530981349 /nfs/dbraw/zinc/98/13/49/530981349.db2.gz RUSUMZSWOXGFCV-LLVKDONJSA-N 1 2 377.850 1.325 20 5 GDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000537658132 531459915 /nfs/dbraw/zinc/45/99/15/531459915.db2.gz BCWRQUVVXAPGIE-LBPRGKRZSA-N 1 2 379.385 1.710 20 5 GDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000537658132 531459919 /nfs/dbraw/zinc/45/99/19/531459919.db2.gz BCWRQUVVXAPGIE-LBPRGKRZSA-N 1 2 379.385 1.710 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1Cl ZINC000296108641 531655735 /nfs/dbraw/zinc/65/57/35/531655735.db2.gz GXHCABQJKGKXSD-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000296108641 531655741 /nfs/dbraw/zinc/65/57/41/531655741.db2.gz GXHCABQJKGKXSD-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(C(F)(F)F)c1 ZINC000367490222 531841180 /nfs/dbraw/zinc/84/11/80/531841180.db2.gz NTCVCBANSRLESO-SECBINFHSA-N 1 2 389.302 1.841 20 5 GDBDLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1C ZINC000285165884 532040796 /nfs/dbraw/zinc/04/07/96/532040796.db2.gz LXLZYMPYQRORKI-UHFFFAOYSA-N 1 2 391.812 1.665 20 5 GDBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@@H](C)C1 ZINC000286269362 532139969 /nfs/dbraw/zinc/13/99/69/532139969.db2.gz DXZAVIPJDUZUGV-VHSXEESVSA-N 1 2 395.840 1.463 20 5 GDBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@@H](C)C1 ZINC000286269362 532139973 /nfs/dbraw/zinc/13/99/73/532139973.db2.gz DXZAVIPJDUZUGV-VHSXEESVSA-N 1 2 395.840 1.463 20 5 GDBDLO Cc1nc(N2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273531498 532155098 /nfs/dbraw/zinc/15/50/98/532155098.db2.gz USRDNXMPEVNMEX-UHFFFAOYSA-N 1 2 383.455 1.485 20 5 GDBDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000377733014 532269885 /nfs/dbraw/zinc/26/98/85/532269885.db2.gz RIUFBQNUUVECPG-UHFFFAOYSA-N 1 2 376.866 1.562 20 5 GDBDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000377733014 532269892 /nfs/dbraw/zinc/26/98/92/532269892.db2.gz RIUFBQNUUVECPG-UHFFFAOYSA-N 1 2 376.866 1.562 20 5 GDBDLO NC(=O)N[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289428434 532324000 /nfs/dbraw/zinc/32/40/00/532324000.db2.gz XGTYSBMEWGJKCR-JTQLQIEISA-N 1 2 390.181 1.442 20 5 GDBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289428434 532324001 /nfs/dbraw/zinc/32/40/01/532324001.db2.gz XGTYSBMEWGJKCR-JTQLQIEISA-N 1 2 390.181 1.442 20 5 GDBDLO Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)s1 ZINC000737491877 598335259 /nfs/dbraw/zinc/33/52/59/598335259.db2.gz OGQLRWFOGUDNJH-UHFFFAOYSA-N 1 2 386.441 1.862 20 5 GDBDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)o1 ZINC000822388942 607174738 /nfs/dbraw/zinc/17/47/38/607174738.db2.gz HDJNVERBAGRALW-CYBMUJFWSA-N 1 2 384.400 1.782 20 5 GDBDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)o1 ZINC000822388942 607174739 /nfs/dbraw/zinc/17/47/39/607174739.db2.gz HDJNVERBAGRALW-CYBMUJFWSA-N 1 2 384.400 1.782 20 5 GDBDLO COCc1cnc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000540070877 650348882 /nfs/dbraw/zinc/34/88/82/650348882.db2.gz LNIYVQCSWCAEIK-UHFFFAOYSA-N 1 2 386.455 1.266 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000919979974 660260908 /nfs/dbraw/zinc/26/09/08/660260908.db2.gz AQGQBKHDZTYWSP-RNCFNFMXSA-N 1 2 394.856 1.300 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000919979974 660260909 /nfs/dbraw/zinc/26/09/09/660260909.db2.gz AQGQBKHDZTYWSP-RNCFNFMXSA-N 1 2 394.856 1.300 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c([N+](=O)[O-])s1 ZINC000921321858 660288187 /nfs/dbraw/zinc/28/81/87/660288187.db2.gz KSCYIJTUEKXZLD-WDEREUQCSA-N 1 2 377.513 1.823 20 5 GDBDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c([N+](=O)[O-])s1 ZINC000921321858 660288189 /nfs/dbraw/zinc/28/81/89/660288189.db2.gz KSCYIJTUEKXZLD-WDEREUQCSA-N 1 2 377.513 1.823 20 5 GDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486631007 647939926 /nfs/dbraw/zinc/93/99/26/647939926.db2.gz QAEZGYGHBUBNEZ-CQSZACIVSA-N 1 2 375.422 1.703 20 5 GDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486631007 647939928 /nfs/dbraw/zinc/93/99/28/647939928.db2.gz QAEZGYGHBUBNEZ-CQSZACIVSA-N 1 2 375.422 1.703 20 5 GDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592390709 652188939 /nfs/dbraw/zinc/18/89/39/652188939.db2.gz HORWYZPUCFAPFL-LBPRGKRZSA-N 1 2 396.238 1.679 20 5 GDBDLO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1CCO ZINC000779315706 654759753 /nfs/dbraw/zinc/75/97/53/654759753.db2.gz ABEOJUBWVYYHGY-VIFPVBQESA-N 1 2 390.209 1.635 20 5 GDBDLO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@H+]1CCO ZINC000779315706 654759755 /nfs/dbraw/zinc/75/97/55/654759755.db2.gz ABEOJUBWVYYHGY-VIFPVBQESA-N 1 2 390.209 1.635 20 5 GDBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000807284022 655080940 /nfs/dbraw/zinc/08/09/40/655080940.db2.gz HFUSEIYCWJOTOO-GFCCVEGCSA-N 1 2 397.185 1.525 20 5 GDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000840456133 655288344 /nfs/dbraw/zinc/28/83/44/655288344.db2.gz KDDZCULYGCENPK-VXGBXAGGSA-N 1 2 383.202 1.933 20 5 GDBDLO COC1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC000931632351 657113025 /nfs/dbraw/zinc/11/30/25/657113025.db2.gz YPOAEAMSOKZLCV-CYBMUJFWSA-N 1 2 375.219 1.913 20 5 GDBDLO COC1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC000931632351 657113026 /nfs/dbraw/zinc/11/30/26/657113026.db2.gz YPOAEAMSOKZLCV-CYBMUJFWSA-N 1 2 375.219 1.913 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001164707257 719839504 /nfs/dbraw/zinc/83/95/04/719839504.db2.gz ZVJQPDLARNBLME-SJKOYZFVSA-N 1 2 398.847 1.876 20 5 GDBDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000026125096 530584095 /nfs/dbraw/zinc/58/40/95/530584095.db2.gz LRZWXVVOVKDOAU-UHFFFAOYSA-N 1 2 387.234 1.739 20 5 GDBDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000026125096 530584099 /nfs/dbraw/zinc/58/40/99/530584099.db2.gz LRZWXVVOVKDOAU-UHFFFAOYSA-N 1 2 387.234 1.739 20 5 GDBDLO Cc1c(Br)cc(S(=O)(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000173191422 530625629 /nfs/dbraw/zinc/62/56/29/530625629.db2.gz DMEHOBAYYGVMMK-UHFFFAOYSA-N 1 2 389.231 1.841 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCN(C)CC1 ZINC000173455302 530630562 /nfs/dbraw/zinc/63/05/62/530630562.db2.gz RHUIWPTWVUUFTB-GFCCVEGCSA-N 1 2 390.893 1.410 20 5 GDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1I ZINC000172991100 530620903 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CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000451939256 531721685 /nfs/dbraw/zinc/72/16/85/531721685.db2.gz YZJLYWFQTGTCHX-LLVKDONJSA-N 1 2 375.422 1.847 20 5 GDBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000451939256 531721694 /nfs/dbraw/zinc/72/16/94/531721694.db2.gz YZJLYWFQTGTCHX-LLVKDONJSA-N 1 2 375.422 1.847 20 5 GDBDLO NS(=O)(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425421612 532138564 /nfs/dbraw/zinc/13/85/64/532138564.db2.gz NZAALNCOFYBLKR-UHFFFAOYSA-N 1 2 378.248 1.610 20 5 GDBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425383780 532136452 /nfs/dbraw/zinc/13/64/52/532136452.db2.gz LRQQRTXFHBZGRN-UHFFFAOYSA-N 1 2 399.289 2.000 20 5 GDBDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000430325291 532247254 /nfs/dbraw/zinc/24/72/54/532247254.db2.gz SBPPUAAQDBYKKW-UHFFFAOYSA-N 1 2 399.245 1.768 20 5 GDBDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000290025570 532335446 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MGHJKLHCCBZRDI-LBPRGKRZSA-N 1 2 377.488 1.600 20 5 GDBDLO Cc1sc(S(=O)(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000467419029 647643304 /nfs/dbraw/zinc/64/33/04/647643304.db2.gz MGHJKLHCCBZRDI-LBPRGKRZSA-N 1 2 377.488 1.600 20 5 GDBDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000578925588 651825870 /nfs/dbraw/zinc/82/58/70/651825870.db2.gz BMTYFMQPGDLDRI-UHFFFAOYSA-N 1 2 382.174 1.346 20 5 GDBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000731650138 654439486 /nfs/dbraw/zinc/43/94/86/654439486.db2.gz CXOYDNZBASWXSO-UHFFFAOYSA-N 1 2 389.861 1.487 20 5 GDBDLO CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867859175 656126559 /nfs/dbraw/zinc/12/65/59/656126559.db2.gz MONKNHZUOGGYRW-UHFFFAOYSA-N 1 2 375.472 1.389 20 5 GDBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896556525 658789200 /nfs/dbraw/zinc/78/92/00/658789200.db2.gz PTCCZBKXIMMEAW-ABAIWWIYSA-N 1 2 399.289 1.650 20 5 GDBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CN(C)CC[N@H+]1C ZINC000896556525 658789206 /nfs/dbraw/zinc/78/92/06/658789206.db2.gz PTCCZBKXIMMEAW-ABAIWWIYSA-N 1 2 399.289 1.650 20 5 GDBDLO COC(=O)c1nc(Cl)nc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC001165036961 721903961 /nfs/dbraw/zinc/90/39/61/721903961.db2.gz FAISDVNHOZFFSM-SNVBAGLBSA-N 1 2 385.808 1.126 20 5 GDBDLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188801795 530901991 /nfs/dbraw/zinc/90/19/91/530901991.db2.gz SEGSOWBLDVDYEE-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188801795 530901993 /nfs/dbraw/zinc/90/19/93/530901993.db2.gz SEGSOWBLDVDYEE-NSHDSACASA-N 1 2 391.877 1.714 20 5 GDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000126175322 531015736 /nfs/dbraw/zinc/01/57/36/531015736.db2.gz JYPSLMMONQHJGJ-UHFFFAOYSA-N 1 2 389.231 1.912 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264719131 531198791 /nfs/dbraw/zinc/19/87/91/531198791.db2.gz DQRFYHGFXKBTBE-NSHDSACASA-N 1 2 376.866 1.081 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264719131 531198793 /nfs/dbraw/zinc/19/87/93/531198793.db2.gz DQRFYHGFXKBTBE-NSHDSACASA-N 1 2 376.866 1.081 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000158060836 531207567 /nfs/dbraw/zinc/20/75/67/531207567.db2.gz QXAMECOSXABTLU-GFCCVEGCSA-N 1 2 390.893 1.410 20 5 GDBDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291542958 531297414 /nfs/dbraw/zinc/29/74/14/531297414.db2.gz VLMSLJXMFPLDIT-UHFFFAOYSA-N 1 2 389.239 1.796 20 5 GDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000493505792 531574967 /nfs/dbraw/zinc/57/49/67/531574967.db2.gz ZHTXHXFIIBJXLI-MNOVXSKESA-N 1 2 375.422 1.846 20 5 GDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000493505792 531574974 /nfs/dbraw/zinc/57/49/74/531574974.db2.gz ZHTXHXFIIBJXLI-MNOVXSKESA-N 1 2 375.422 1.846 20 5 GDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366555624 531757376 /nfs/dbraw/zinc/75/73/76/531757376.db2.gz PMVCUPFSMYPPRM-CQSZACIVSA-N 1 2 398.257 1.833 20 5 GDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000576279075 532022014 /nfs/dbraw/zinc/02/20/14/532022014.db2.gz GABQFENJIROQKH-LBPRGKRZSA-N 1 2 385.339 1.936 20 5 GDBDLO Cn1cc[nH+]c1CN1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301840333 532041017 /nfs/dbraw/zinc/04/10/17/532041017.db2.gz AMZYQWVZFVWBAV-UHFFFAOYSA-N 1 2 381.234 1.808 20 5 GDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000325875270 532077078 /nfs/dbraw/zinc/07/70/78/532077078.db2.gz ZXMJIDRCGAVIPD-LBPRGKRZSA-N 1 2 397.185 1.595 20 5 GDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000325875270 532077085 /nfs/dbraw/zinc/07/70/85/532077085.db2.gz ZXMJIDRCGAVIPD-LBPRGKRZSA-N 1 2 397.185 1.595 20 5 GDBDLO CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCOCC1 ZINC000425423651 532138967 /nfs/dbraw/zinc/13/89/67/532138967.db2.gz ODTKBUSLDACGPW-CQSZACIVSA-N 1 2 388.262 1.482 20 5 GDBDLO O=C(C[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000425384354 532136076 /nfs/dbraw/zinc/13/60/76/532136076.db2.gz LXKDWDXPOAYCKU-UHFFFAOYSA-N 1 2 397.273 1.754 20 5 GDBDLO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3cscn3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370532 598460015 /nfs/dbraw/zinc/46/00/15/598460015.db2.gz VGSWKNNOLDXPSO-UHFFFAOYSA-N 1 2 387.429 1.339 20 5 GDBDLO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3cscn3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370532 598460017 /nfs/dbraw/zinc/46/00/17/598460017.db2.gz VGSWKNNOLDXPSO-UHFFFAOYSA-N 1 2 387.429 1.339 20 5 GDBDLO Cc1cc(N2CCC(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000822207519 606717148 /nfs/dbraw/zinc/71/71/48/606717148.db2.gz YSUBFGLAICJJQE-UHFFFAOYSA-N 1 2 396.415 1.658 20 5 GDBDLO Cc1cc(Br)cn2cc(CCNc3ncc([N+](=O)[O-])c(N)n3)[nH+]c12 ZINC000546759630 650485180 /nfs/dbraw/zinc/48/51/80/650485180.db2.gz FJQCNJVVWMMFRB-UHFFFAOYSA-N 1 2 392.217 1.762 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917061505 660205118 /nfs/dbraw/zinc/20/51/18/660205118.db2.gz LAHWHTRCFDILAY-NSHDSACASA-N 1 2 392.840 1.056 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917061505 660205121 /nfs/dbraw/zinc/20/51/21/660205121.db2.gz LAHWHTRCFDILAY-NSHDSACASA-N 1 2 392.840 1.056 20 5 GDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC[C@H](C)F)CC2)cc1[N+](=O)[O-] ZINC000509829394 648301419 /nfs/dbraw/zinc/30/14/19/648301419.db2.gz YGLGAYYRAPKRQG-LBPRGKRZSA-N 1 2 375.422 1.658 20 5 GDBDLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609279162 652840438 /nfs/dbraw/zinc/84/04/38/652840438.db2.gz LDPHSZWUQVZEPL-LLVKDONJSA-N 1 2 377.850 1.637 20 5 GDBDLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609279162 652840441 /nfs/dbraw/zinc/84/04/41/652840441.db2.gz LDPHSZWUQVZEPL-LLVKDONJSA-N 1 2 377.850 1.637 20 5 GDBDLO COC1CC[NH+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000610574657 652886996 /nfs/dbraw/zinc/88/69/96/652886996.db2.gz USCGIPMHDTYJJP-UHFFFAOYSA-N 1 2 377.850 1.637 20 5 GDBDLO NC(=O)C[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000808228219 655101636 /nfs/dbraw/zinc/10/16/36/655101636.db2.gz GVRGIERTQCMKNB-VIFPVBQESA-N 1 2 397.229 1.468 20 5 GDBDLO NC(=O)C[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000808228219 655101640 /nfs/dbraw/zinc/10/16/40/655101640.db2.gz GVRGIERTQCMKNB-VIFPVBQESA-N 1 2 397.229 1.468 20 5 GDBDLO O=C(NCCO)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000822588130 655447819 /nfs/dbraw/zinc/44/78/19/655447819.db2.gz MNSHXTHKLUKAPQ-UHFFFAOYSA-N 1 2 386.246 1.678 20 5 GDBDLO CC1(C)OCC(CO)([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CO1 ZINC000822972095 655454592 /nfs/dbraw/zinc/45/45/92/655454592.db2.gz FXHMJTCJXWTKDS-UHFFFAOYSA-N 1 2 375.219 1.961 20 5 GDBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929992946 656995205 /nfs/dbraw/zinc/99/52/05/656995205.db2.gz ADRCVGYBNCTZKS-JOCHJYFZSA-N 1 2 390.303 1.853 20 5 GDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000882766101 657222753 /nfs/dbraw/zinc/22/27/53/657222753.db2.gz VGDQEMXBCMQZMJ-SNVBAGLBSA-N 1 2 378.248 1.730 20 5 GDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000882766101 657222756 /nfs/dbraw/zinc/22/27/56/657222756.db2.gz VGDQEMXBCMQZMJ-SNVBAGLBSA-N 1 2 378.248 1.730 20 5 GDBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897146461 658829439 /nfs/dbraw/zinc/82/94/39/658829439.db2.gz SYQICLHEXQUCBY-MRVPVSSYSA-N 1 2 377.203 1.770 20 5 GDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001164706030 719857719 /nfs/dbraw/zinc/85/77/19/719857719.db2.gz WIVGUNUAZOQUTL-DNVCBOLYSA-N 1 2 392.456 1.839 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000160416005 530551990 /nfs/dbraw/zinc/55/19/90/530551990.db2.gz YYLMOVLMFPKTBU-LLVKDONJSA-N 1 2 377.850 1.495 20 5 GDBDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000194023927 530998156 /nfs/dbraw/zinc/99/81/56/530998156.db2.gz WSEJKGLNHVXXKS-TXEJJXNPSA-N 1 2 391.877 1.978 20 5 GDBDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000194023927 530998159 /nfs/dbraw/zinc/99/81/59/530998159.db2.gz WSEJKGLNHVXXKS-TXEJJXNPSA-N 1 2 391.877 1.978 20 5 GDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCc3cncs3)CC2)c1 ZINC000411137526 531304817 /nfs/dbraw/zinc/30/48/17/531304817.db2.gz OTBYSUZVEULGCS-UHFFFAOYSA-N 1 2 382.467 1.600 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363197521 531476686 /nfs/dbraw/zinc/47/66/86/531476686.db2.gz OUUBLCRQNVKDIV-MNOVXSKESA-N 1 2 375.834 1.390 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363197521 531476689 /nfs/dbraw/zinc/47/66/89/531476689.db2.gz OUUBLCRQNVKDIV-MNOVXSKESA-N 1 2 375.834 1.390 20 5 GDBDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000562306682 531745515 /nfs/dbraw/zinc/74/55/15/531745515.db2.gz KOSXCVLKBYYFNY-UHFFFAOYSA-N 1 2 378.332 1.868 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000452105931 531763187 /nfs/dbraw/zinc/76/31/87/531763187.db2.gz MYAAPFUTMDTTGE-JTQLQIEISA-N 1 2 377.850 1.244 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000452105931 531763196 /nfs/dbraw/zinc/76/31/96/531763196.db2.gz MYAAPFUTMDTTGE-JTQLQIEISA-N 1 2 377.850 1.244 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2sccc2C1 ZINC000593532830 531839659 /nfs/dbraw/zinc/83/96/59/531839659.db2.gz ZTQSTHZYZLUBRV-LLVKDONJSA-N 1 2 382.467 1.776 20 5 GDBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCc2sccc2C1 ZINC000593532830 531839666 /nfs/dbraw/zinc/83/96/66/531839666.db2.gz ZTQSTHZYZLUBRV-LLVKDONJSA-N 1 2 382.467 1.776 20 5 GDBDLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430276831 532245761 /nfs/dbraw/zinc/24/57/61/532245761.db2.gz MMVMGSJPZLGLKL-OAHLLOKOSA-N 1 2 399.245 1.754 20 5 GDBDLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430276831 532245764 /nfs/dbraw/zinc/24/57/64/532245764.db2.gz MMVMGSJPZLGLKL-OAHLLOKOSA-N 1 2 399.245 1.754 20 5 GDBDLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000430352104 532247488 /nfs/dbraw/zinc/24/74/88/532247488.db2.gz LPVIWKUCSREZHZ-VIFPVBQESA-N 1 2 399.245 1.767 20 5 GDBDLO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000430352104 532247492 /nfs/dbraw/zinc/24/74/92/532247492.db2.gz LPVIWKUCSREZHZ-VIFPVBQESA-N 1 2 399.245 1.767 20 5 GDBDLO Cc1cc(=O)n2nc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2n1 ZINC000024212474 221610143 /nfs/dbraw/zinc/61/01/43/221610143.db2.gz SNGNYMXGTMTVOH-UHFFFAOYSA-N 1 2 386.437 1.690 20 5 GDBDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000737092901 599094230 /nfs/dbraw/zinc/09/42/30/599094230.db2.gz QXJYPUICROFDCD-HNNXBMFYSA-N 1 2 383.368 1.100 20 5 GDBDLO O=[N+]([O-])c1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1-c1nn[nH]n1 ZINC000823634510 606645984 /nfs/dbraw/zinc/64/59/84/606645984.db2.gz IXPKQDDNDDWYAR-INIZCTEOSA-N 1 2 391.457 1.395 20 5 GDBDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)o1 ZINC000822388943 607174921 /nfs/dbraw/zinc/17/49/21/607174921.db2.gz HDJNVERBAGRALW-ZDUSSCGKSA-N 1 2 384.400 1.782 20 5 GDBDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)o1 ZINC000822388943 607174922 /nfs/dbraw/zinc/17/49/22/607174922.db2.gz HDJNVERBAGRALW-ZDUSSCGKSA-N 1 2 384.400 1.782 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1Br ZINC000193739206 645054747 /nfs/dbraw/zinc/05/47/47/645054747.db2.gz 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Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575970199 651614056 /nfs/dbraw/zinc/61/40/56/651614056.db2.gz HLCGDRZHFKHDDZ-UHFFFAOYSA-N 1 2 378.332 1.868 20 5 GDBDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000809850702 655142603 /nfs/dbraw/zinc/14/26/03/655142603.db2.gz GDZFWMKCVVHNMP-UHFFFAOYSA-N 1 2 375.204 1.569 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1Br ZINC000795278633 655168852 /nfs/dbraw/zinc/16/88/52/655168852.db2.gz OOBFZZVKQPAJBR-UHFFFAOYSA-N 1 2 390.259 1.898 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1Br ZINC000795278633 655168857 /nfs/dbraw/zinc/16/88/57/655168857.db2.gz OOBFZZVKQPAJBR-UHFFFAOYSA-N 1 2 390.259 1.898 20 5 GDBDLO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795818950 655189078 /nfs/dbraw/zinc/18/90/78/655189078.db2.gz FLEGRJPFQRGNDA-SNVBAGLBSA-N 1 2 395.840 1.776 20 5 GDBDLO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795818950 655189081 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ZINC000163338249 530575169 /nfs/dbraw/zinc/57/51/69/530575169.db2.gz KGJDTRZADBOCRX-UHFFFAOYSA-N 1 2 379.174 1.669 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000171506595 530599904 /nfs/dbraw/zinc/59/99/04/530599904.db2.gz HDRRXHOBENYOPV-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000171506595 530599905 /nfs/dbraw/zinc/59/99/05/530599905.db2.gz HDRRXHOBENYOPV-UHFFFAOYSA-N 1 2 377.850 1.245 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173543992 530632791 /nfs/dbraw/zinc/63/27/91/530632791.db2.gz HDDKGVOUFIPDLW-GFCCVEGCSA-N 1 2 389.861 1.591 20 5 GDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CC3CCOCC3)CC2)s1 ZINC000179595145 530744967 /nfs/dbraw/zinc/74/49/67/530744967.db2.gz RVRMLUZXWSWMOZ-UHFFFAOYSA-N 1 2 389.499 1.608 20 5 GDBDLO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000117950904 530915621 /nfs/dbraw/zinc/91/56/21/530915621.db2.gz 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20 5 GDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000129135672 531047924 /nfs/dbraw/zinc/04/79/24/531047924.db2.gz WNKJMYNIZCQJHD-UHFFFAOYSA-N 1 2 389.499 1.608 20 5 GDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290811554 531258310 /nfs/dbraw/zinc/25/83/10/531258310.db2.gz SGHHEWOCODKWBY-JTQLQIEISA-N 1 2 395.840 1.465 20 5 GDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000277921833 531320501 /nfs/dbraw/zinc/32/05/01/531320501.db2.gz NEFUJCBTICQIHR-UHFFFAOYSA-N 1 2 384.230 1.952 20 5 GDBDLO C[C@@H](CO)Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266222741 531327458 /nfs/dbraw/zinc/32/74/58/531327458.db2.gz QXGIEYKMZBUAFM-NSHDSACASA-N 1 2 375.472 1.004 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000269274577 531632720 /nfs/dbraw/zinc/63/27/20/531632720.db2.gz HUVRKICHYJBINX-LLVKDONJSA-N 1 2 376.866 1.081 20 5 GDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000269274577 531632731 /nfs/dbraw/zinc/63/27/31/531632731.db2.gz HUVRKICHYJBINX-LLVKDONJSA-N 1 2 376.866 1.081 20 5 GDBDLO CN(C)C(=O)CC[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596160510 531910014 /nfs/dbraw/zinc/91/00/14/531910014.db2.gz NLUGMAYKGFVWGC-UHFFFAOYSA-N 1 2 385.262 1.958 20 5 GDBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000284746664 531987540 /nfs/dbraw/zinc/98/75/40/531987540.db2.gz HYEGGMFJKNHCFT-GFCCVEGCSA-N 1 2 383.246 1.395 20 5 GDBDLO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000271737418 532047291 /nfs/dbraw/zinc/04/72/91/532047291.db2.gz VMPIJQMWEHNADW-JTQLQIEISA-N 1 2 387.234 1.826 20 5 GDBDLO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000271737418 532047296 /nfs/dbraw/zinc/04/72/96/532047296.db2.gz VMPIJQMWEHNADW-JTQLQIEISA-N 1 2 387.234 1.826 20 5 GDBDLO Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302673429 532049068 /nfs/dbraw/zinc/04/90/68/532049068.db2.gz LMYDHAWGFOHXLJ-GFCCVEGCSA-N 1 2 388.262 1.795 20 5 GDBDLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000286166979 532135011 /nfs/dbraw/zinc/13/50/11/532135011.db2.gz IZJXURWZFNXNKW-AWEZNQCLSA-N 1 2 384.230 1.573 20 5 GDBDLO C[N@H+]1CCO[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000286166979 532135014 /nfs/dbraw/zinc/13/50/14/532135014.db2.gz IZJXURWZFNXNKW-AWEZNQCLSA-N 1 2 384.230 1.573 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000374852665 532140054 /nfs/dbraw/zinc/14/00/54/532140054.db2.gz IVNKKXHWRDWFDA-UONOGXRCSA-N 1 2 389.861 1.468 20 5 GDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000823621139 606707337 /nfs/dbraw/zinc/70/73/37/606707337.db2.gz WTEYIWYYCNGAQL-UHFFFAOYSA-N 1 2 382.384 1.198 20 5 GDBDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000040691695 644323449 /nfs/dbraw/zinc/32/34/49/644323449.db2.gz 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GDBDLO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000831190744 654975362 /nfs/dbraw/zinc/97/53/62/654975362.db2.gz IHMYBGQPSIRFOQ-VIFPVBQESA-N 1 2 398.268 1.901 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000831810795 654998510 /nfs/dbraw/zinc/99/85/10/654998510.db2.gz XCOFVDJHMCAJRP-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000831810795 654998512 /nfs/dbraw/zinc/99/85/12/654998512.db2.gz XCOFVDJHMCAJRP-SNVBAGLBSA-N 1 2 395.840 1.512 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000795776675 655187269 /nfs/dbraw/zinc/18/72/69/655187269.db2.gz XVJHMTTUXDGYNU-UHFFFAOYSA-N 1 2 396.238 1.871 20 5 GDBDLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)N1 ZINC000839589163 655254758 /nfs/dbraw/zinc/25/47/58/655254758.db2.gz DZGVEQCPIBOKKS-CQSZACIVSA-N 1 2 383.202 1.531 20 5 GDBDLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)N1 ZINC000839589163 655254759 /nfs/dbraw/zinc/25/47/59/655254759.db2.gz DZGVEQCPIBOKKS-CQSZACIVSA-N 1 2 383.202 1.531 20 5 GDBDLO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036545 655281799 /nfs/dbraw/zinc/28/17/99/655281799.db2.gz XXNFLUVWRZTFFM-VIFPVBQESA-N 1 2 381.813 1.386 20 5 GDBDLO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036545 655281802 /nfs/dbraw/zinc/28/18/02/655281802.db2.gz XXNFLUVWRZTFFM-VIFPVBQESA-N 1 2 381.813 1.386 20 5 GDBDLO CN1CC[NH+](C[C@@H](O)COc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC000840761058 655296112 /nfs/dbraw/zinc/29/61/12/655296112.db2.gz OSTPRKWQIFTSMI-SNVBAGLBSA-N 1 2 392.225 1.484 20 5 GDBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000866861559 655971452 /nfs/dbraw/zinc/97/14/52/655971452.db2.gz RIXFCVKYBPEWLM-GFCCVEGCSA-N 1 2 383.246 1.016 20 5 GDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000882068153 657035062 /nfs/dbraw/zinc/03/50/62/657035062.db2.gz ZGWYIZPLRUVVHA-NSHDSACASA-N 1 2 392.225 1.626 20 5 GDBDLO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(O)(COCCO)CC1 ZINC000895827308 658732448 /nfs/dbraw/zinc/73/24/48/658732448.db2.gz MUIZHYOZJHTKRV-UHFFFAOYSA-N 1 2 389.246 1.693 20 5 GDBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3C)CC2)C1=O ZINC001164638777 719268384 /nfs/dbraw/zinc/26/83/84/719268384.db2.gz PESCBPAAQZKKOO-UHFFFAOYSA-N 1 2 377.445 1.058 20 5 GDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3C)CC2)C1=O ZINC001164638777 719268390 /nfs/dbraw/zinc/26/83/90/719268390.db2.gz PESCBPAAQZKKOO-UHFFFAOYSA-N 1 2 377.445 1.058 20 5 GDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC)n1 ZINC001164697355 719845092 /nfs/dbraw/zinc/84/50/92/719845092.db2.gz CTUGWHXOURPAQX-ACJLOTCBSA-N 1 2 394.428 1.231 20 5 GDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(F)cc1[N+](=O)[O-] ZINC001164702703 719845358 /nfs/dbraw/zinc/84/53/58/719845358.db2.gz OZDASBCWNSTUEY-GUYCJALGSA-N 1 2 382.392 1.362 20 5 GDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719253 720215110 /nfs/dbraw/zinc/21/51/10/720215110.db2.gz PQVWVEIEKQJMSB-QGZVFWFLSA-N 1 2 397.863 1.308 20 5 GDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719253 720215122 /nfs/dbraw/zinc/21/51/22/720215122.db2.gz PQVWVEIEKQJMSB-QGZVFWFLSA-N 1 2 397.863 1.308 20 5 GDBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001164917405 721814085 /nfs/dbraw/zinc/81/40/85/721814085.db2.gz LWVPCIITUPLNSE-UHFFFAOYSA-N 1 2 387.400 1.844 20 5 GDBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181560988 530786328 /nfs/dbraw/zinc/78/63/28/530786328.db2.gz DBBQMHBUDANKAH-GFCCVEGCSA-N 1 2 379.385 1.710 20 5 GDBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181560988 530786330 /nfs/dbraw/zinc/78/63/30/530786330.db2.gz DBBQMHBUDANKAH-GFCCVEGCSA-N 1 2 379.385 1.710 20 5 GDBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000182405998 530798543 /nfs/dbraw/zinc/79/85/43/530798543.db2.gz SAERTMMITKKCDA-GFCCVEGCSA-N 1 2 391.877 1.634 20 5 GDBDLO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108400118 530857623 /nfs/dbraw/zinc/85/76/23/530857623.db2.gz OHAWYLPPIRMMCG-NSHDSACASA-N 1 2 377.850 1.637 20 5 GDBDLO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000108400118 530857625 /nfs/dbraw/zinc/85/76/25/530857625.db2.gz OHAWYLPPIRMMCG-NSHDSACASA-N 1 2 377.850 1.637 20 5 GDBDLO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000108873864 530860433 /nfs/dbraw/zinc/86/04/33/530860433.db2.gz IRPKUZPFCHNTTN-UHFFFAOYSA-N 1 2 390.259 1.826 20 5 GDBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000187960088 530881289 /nfs/dbraw/zinc/88/12/89/530881289.db2.gz PELNOQLXPYXHNN-NSHDSACASA-N 1 2 377.850 1.244 20 5 GDBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188308888 530890986 /nfs/dbraw/zinc/89/09/86/530890986.db2.gz INTAGMOAYKQHBU-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188308888 530890990 /nfs/dbraw/zinc/89/09/90/530890990.db2.gz INTAGMOAYKQHBU-LLVKDONJSA-N 1 2 391.877 1.714 20 5 GDBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188318990 530891725 /nfs/dbraw/zinc/89/17/25/530891725.db2.gz MSGSZKLLUNRFAL-LLVKDONJSA-N 1 2 375.422 1.200 20 5 GDBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188318990 530891728 /nfs/dbraw/zinc/89/17/28/530891728.db2.gz MSGSZKLLUNRFAL-LLVKDONJSA-N 1 2 375.422 1.200 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117372141 530912940 /nfs/dbraw/zinc/91/29/40/530912940.db2.gz MYJMVTVAWSPKJN-GFCCVEGCSA-N 1 2 375.422 1.465 20 5 GDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117372141 530912943 /nfs/dbraw/zinc/91/29/43/530912943.db2.gz MYJMVTVAWSPKJN-GFCCVEGCSA-N 1 2 375.422 1.465 20 5 GDBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000246099910 531063945 /nfs/dbraw/zinc/06/39/45/531063945.db2.gz MCFUUDHLDDERMP-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000246099910 531063948 /nfs/dbraw/zinc/06/39/48/531063948.db2.gz MCFUUDHLDDERMP-QWRGUYRKSA-N 1 2 377.850 1.324 20 5 GDBDLO Cn1cc[nH+]c1CN1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129189773 531048651 /nfs/dbraw/zinc/04/86/51/531048651.db2.gz OLQKNMKAPKTALE-UHFFFAOYSA-N 1 2 385.471 1.116 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCC[NH+]2CCOCC2)c1Cl ZINC000145272018 531124694 /nfs/dbraw/zinc/12/46/94/531124694.db2.gz SVNQXGGIIIMVKX-UHFFFAOYSA-N 1 2 398.268 1.902 20 5 GDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ncc(Cl)s1 ZINC000472078679 531216968 /nfs/dbraw/zinc/21/69/68/531216968.db2.gz CTASXPBUZULKTL-UHFFFAOYSA-N 1 2 376.847 1.773 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000445703668 531405472 /nfs/dbraw/zinc/40/54/72/531405472.db2.gz APHHKOWJWTWSQO-UHFFFAOYSA-N 1 2 398.268 1.902 20 5 GDBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000445703668 531405475 /nfs/dbraw/zinc/40/54/75/531405475.db2.gz APHHKOWJWTWSQO-UHFFFAOYSA-N 1 2 398.268 1.902 20 5 GDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000533294943 531429650 /nfs/dbraw/zinc/42/96/50/531429650.db2.gz JDOCBDIKQPVAOO-GHMZBOCLSA-N 1 2 389.861 1.942 20 5 GDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000533294943 531429654 /nfs/dbraw/zinc/42/96/54/531429654.db2.gz JDOCBDIKQPVAOO-GHMZBOCLSA-N 1 2 389.861 1.942 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360444265 531440161 /nfs/dbraw/zinc/44/01/61/531440161.db2.gz DXVKOHUGSDYITJ-OCCSQVGLSA-N 1 2 389.861 1.468 20 5 GDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267874501 531458761 /nfs/dbraw/zinc/45/87/61/531458761.db2.gz LREYZAIEPLJMQU-LBPRGKRZSA-N 1 2 389.861 1.591 20 5 GDBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000295473949 531584830 /nfs/dbraw/zinc/58/48/30/531584830.db2.gz ZEOHHYFTJUJYJV-NSHDSACASA-N 1 2 375.422 1.847 20 5 GDBDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416669212 531735098 /nfs/dbraw/zinc/73/50/98/531735098.db2.gz RPHAFQMUQBLYMK-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416669212 531735102 /nfs/dbraw/zinc/73/51/02/531735102.db2.gz RPHAFQMUQBLYMK-WDEREUQCSA-N 1 2 377.850 1.324 20 5 GDBDLO O=[N+]([O-])c1cncc(I)c1N1CCC[N@@H+](CCO)CC1 ZINC000418850555 531854705 /nfs/dbraw/zinc/85/47/05/531854705.db2.gz CSRCJTFOPQPYGD-UHFFFAOYSA-N 1 2 392.197 1.099 20 5 GDBDLO O=[N+]([O-])c1cncc(I)c1N1CCC[N@H+](CCO)CC1 ZINC000418850555 531854714 /nfs/dbraw/zinc/85/47/14/531854714.db2.gz CSRCJTFOPQPYGD-UHFFFAOYSA-N 1 2 392.197 1.099 20 5 GDBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000368158521 531898702 /nfs/dbraw/zinc/89/87/02/531898702.db2.gz KICKIYVTWRQBAL-UHFFFAOYSA-N 1 2 394.185 1.535 20 5 GDBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372936457 532053759 /nfs/dbraw/zinc/05/37/59/532053759.db2.gz PGHBGZKOEASAQX-NSHDSACASA-N 1 2 384.230 1.904 20 5 GDBDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602708690 532081810 /nfs/dbraw/zinc/08/18/10/532081810.db2.gz PQDIGCNDHHBMNJ-IUCAKERBSA-N 1 2 385.261 1.320 20 5 GDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000374852668 532140465 /nfs/dbraw/zinc/14/04/65/532140465.db2.gz IVNKKXHWRDWFDA-ZIAGYGMSSA-N 1 2 389.861 1.468 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000378599016 532292592 /nfs/dbraw/zinc/29/25/92/532292592.db2.gz NXYAFPFQZOBQJF-OCCSQVGLSA-N 1 2 389.861 1.468 20 5 GDBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1Cl ZINC000289111880 532315955 /nfs/dbraw/zinc/31/59/55/532315955.db2.gz JUTKIBPWLKSFKR-UHFFFAOYSA-N 1 2 398.268 1.590 20 5 GDBDLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289263154 532319784 /nfs/dbraw/zinc/31/97/84/532319784.db2.gz AKLUSLNTXDXFPG-SECBINFHSA-N 1 2 381.813 1.386 20 5 GDBDLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289263154 532319786 /nfs/dbraw/zinc/31/97/86/532319786.db2.gz AKLUSLNTXDXFPG-SECBINFHSA-N 1 2 381.813 1.386 20 5 GDBDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000820804265 606780509 /nfs/dbraw/zinc/78/05/09/606780509.db2.gz PDOAFNKPTPATPA-LBPRGKRZSA-N 1 2 381.400 1.276 20 5 GDBDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000820804265 606780511 /nfs/dbraw/zinc/78/05/11/606780511.db2.gz PDOAFNKPTPATPA-LBPRGKRZSA-N 1 2 381.400 1.276 20 5 GDBDLO Cc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000826287977 608509231 /nfs/dbraw/zinc/50/92/31/608509231.db2.gz LQYAXKRGWUSCAB-UHFFFAOYSA-N 1 2 380.412 1.801 20 5 GDBDLO Cc1sc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000068506885 644565361 /nfs/dbraw/zinc/56/53/61/644565361.db2.gz VYYUNBXJFHBKRH-UHFFFAOYSA-N 1 2 375.472 1.204 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000919990933 660262002 /nfs/dbraw/zinc/26/20/02/660262002.db2.gz SJPMFQWPNFRONS-RNCFNFMXSA-N 1 2 394.856 1.300 20 5 GDBDLO C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990933 660262003 /nfs/dbraw/zinc/26/20/03/660262003.db2.gz SJPMFQWPNFRONS-RNCFNFMXSA-N 1 2 394.856 1.300 20 5 GDBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CS(=O)(=O)CCO3)cs2)c1 ZINC000507858104 648253777 /nfs/dbraw/zinc/25/37/77/648253777.db2.gz CYLYMILKZDYCCA-CQSZACIVSA-N 1 2 383.451 1.622 20 5 GDBDLO CN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H](O)C[NH+]1CCOCC1 ZINC000602477766 652639316 /nfs/dbraw/zinc/63/93/16/652639316.db2.gz LWEMGGPNEBGJFN-JTQLQIEISA-N 1 2 394.291 1.544 20 5 GDBDLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609279061 652840342 /nfs/dbraw/zinc/84/03/42/652840342.db2.gz CJUWURFAWQNNDW-LBPRGKRZSA-N 1 2 377.850 1.637 20 5 GDBDLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609279061 652840347 /nfs/dbraw/zinc/84/03/47/652840347.db2.gz CJUWURFAWQNNDW-LBPRGKRZSA-N 1 2 377.850 1.637 20 5 GDBDLO COCCOC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000829531797 654903678 /nfs/dbraw/zinc/90/36/78/654903678.db2.gz TUEGVEDLHRQUGO-NSHDSACASA-N 1 2 389.246 1.739 20 5 GDBDLO COCCOC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000829531797 654903684 /nfs/dbraw/zinc/90/36/84/654903684.db2.gz TUEGVEDLHRQUGO-NSHDSACASA-N 1 2 389.246 1.739 20 5 GDBDLO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000729686519 654914403 /nfs/dbraw/zinc/91/44/03/654914403.db2.gz OQXHLZIXGBAUDW-UHFFFAOYSA-N 1 2 384.439 1.293 20 5 GDBDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810432458 655160852 /nfs/dbraw/zinc/16/08/52/655160852.db2.gz ZGERRKCMRVYDMN-UHFFFAOYSA-N 1 2 382.174 1.346 20 5 GDBDLO CNS(=O)(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839491925 655249232 /nfs/dbraw/zinc/24/92/32/655249232.db2.gz SCALELIDYIVWEP-UHFFFAOYSA-N 1 2 392.275 1.871 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000815007161 655277328 /nfs/dbraw/zinc/27/73/28/655277328.db2.gz MVNPRDBPMXSREB-ZJUUUORDSA-N 1 2 393.824 1.529 20 5 GDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000815007161 655277330 /nfs/dbraw/zinc/27/73/30/655277330.db2.gz MVNPRDBPMXSREB-ZJUUUORDSA-N 1 2 393.824 1.529 20 5 GDBDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000867167830 656005905 /nfs/dbraw/zinc/00/59/05/656005905.db2.gz KPIFNZUFAWQWAR-SNVBAGLBSA-N 1 2 395.231 1.397 20 5 GDBDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000867167830 656005910 /nfs/dbraw/zinc/00/59/10/656005910.db2.gz KPIFNZUFAWQWAR-SNVBAGLBSA-N 1 2 395.231 1.397 20 5 GDBDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC000922019744 656442370 /nfs/dbraw/zinc/44/23/70/656442370.db2.gz NECSEJCSYBCDRH-MRVPVSSYSA-N 1 2 385.225 1.941 20 5 GDBDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC000922019744 656442372 /nfs/dbraw/zinc/44/23/72/656442372.db2.gz NECSEJCSYBCDRH-MRVPVSSYSA-N 1 2 385.225 1.941 20 5 GDBDLO